propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate

C30H38N2O6 — CID 164786843

IUPACpropyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate
SMILESCCCOC(=O)CCC/C(=N/OC(=O)CC)c1ccc2c(c1)C(CCC)(CCC)c1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C30H38N2O6/c1-5-16-30(17-6-2)25-19-21(12-14-23(25)24-15-13-22(32(35)36)20-26(24)30)27(31-38-28(33)8-4)10-9-11-29(34)37-18-7-3/h12-15,19-20H,5-11,16-18H2,1-4H3/b31-27-
InChIKeyPZHQNMAJFBVLHF-QVTSOHHYSA-N
MW522.64 g/mol
LogP7.24
Rot. Bonds14

About propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate

propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate (PubChem CID 164786843) has the molecular formula C30H38N2O6 and a molecular weight of 522.64 g/mol. Its IUPAC name is propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate.

Molecular Properties

Compound Namepropyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate
PubChem CID164786843
Molecular FormulaC30H38N2O6
Molecular Weight522.64 g/mol
Exact Mass522.27
IUPAC Namepropyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate
SMILESCCCOC(=O)CCC/C(=N/OC(=O)CC)c1ccc2c(c1)C(CCC)(CCC)c1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C30H38N2O6/c1-5-16-30(17-6-2)25-19-21(12-14-23(25)24-15-13-22(32(35)36)20-26(24)30)27(31-38-28(33)8-4)10-9-11-29(34)37-18-7-3/h12-15,19-20H,5-11,16-18H2,1-4H3/b31-27-
InChIKeyPZHQNMAJFBVLHF-QVTSOHHYSA-N
XLogP7.24
TPSA108.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.64
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[4-(4-chlorophenyl)sulfanyl-1-(7-nitro-9,9-dipropylfluoren-2-yl)butylidene]amino] acetate
CID 123664259
[(Z)-[3-cyclopentyl-1-(9,9-dibutyl-7-nitrofluoren-2-yl)propylidene]amino] acetate
CID 162451757
3-chloro-1-(7-nitro-9,9-dipropylfluoren-2-yl)propan-1-one
CID 145412519
[(Z)-[cyclopentyl-(9,9-diethyl-7-nitrofluoren-2-yl)methylidene]amino] butanoate
CID 164786888
N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine
CID 131735412
4-(4-chlorophenyl)sulfanyl-1-(7-nitro-9,9-dipropylfluoren-2-yl)butan-1-one
CID 118371888
(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methanone
CID 118371862
[(E)-[(9,9-dibutyl-7-nitrofluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate
CID 162451777
[(E)-[3-cyclohexyl-1-(9,9-dibutylfluoren-2-yl)propylidene]amino] propanoate
CID 145288770
7-nitro-9,9-dipropylfluorene-2-carbonitrile
CID 11023645
1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate
CID 172947424
[1-[4-(2,4-dinitrophenyl)phenyl]ethylideneamino] propanoate
CID 118054103

Frequently Asked Questions

What is the IUPAC name of propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate?
The IUPAC name of propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate (CID 164786843) is propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate.
What is the SMILES notation for propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate?
The canonical SMILES for propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate is CCCOC(=O)CCC/C(=N/OC(=O)CC)c1ccc2c(c1)C(CCC)(CCC)c1cc([N+](=O)[O-])ccc1-2.
What is the InChIKey of propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate?
The InChIKey is PZHQNMAJFBVLHF-QVTSOHHYSA-N. The full InChI is InChI=1S/C30H38N2O6/c1-5-16-30(17-6-2)25-19-21(12-14-23(25)24-15-13-22(32(35)36)20-26(24)30)27(31-38-28(33)8-4)10-9-11-29(34)37-18-7-3/h12-15,19-20H,5-11,16-18H2,1-4H3/b31-27-.
What are the key properties of propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate?
propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate has a molecular weight of 522.64 g/mol, XLogP of 7.24, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate is sourced from PubChem (CID 164786843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).