N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine

C23H28N2O3 — CID 131735412

IUPACN-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine
SMILESCCCCC1(CCCC)c2cc(C(C)=NO)ccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C23H28N2O3/c1-4-6-12-23(13-7-5-2)21-14-17(16(3)24-26)8-10-19(21)20-11-9-18(25(27)28)15-22(20)23/h8-11,14-15,26H,4-7,12-13H2,1-3H3
InChIKeyVFSCQHDZMFJHQZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.44
Rot. Bonds8

About N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine

N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine (PubChem CID 131735412) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine
PubChem CID131735412
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine
SMILESCCCCC1(CCCC)c2cc(C(C)=NO)ccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C23H28N2O3/c1-4-6-12-23(13-7-5-2)21-14-17(16(3)24-26)8-10-19(21)20-11-9-18(25(27)28)15-22(20)23/h8-11,14-15,26H,4-7,12-13H2,1-3H3
InChIKeyVFSCQHDZMFJHQZ-UHFFFAOYSA-N
XLogP6.44
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(9,9-dibutyl-7-nitrofluoren-2-yl)acetaldehyde
CID 141396577
[(E)-[(9,9-dibutyl-7-nitrofluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate
CID 162451777
[(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
(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methanone
CID 118371862
7-nitro-9,9-dipropylfluorene-2-carbonitrile
CID 11023645
4-(4-chlorophenyl)sulfanyl-1-(7-nitro-9,9-dipropylfluoren-2-yl)butan-1-one
CID 118371888
propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate
CID 164786843
(NE)-N-[(4Z)-4-[9-(1-aminobutyl)-9-(butylamino)-7-nitrofluoren-2-yl]-4-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 172981285
[[4-(4-chlorophenyl)sulfanyl-1-(7-nitro-9,9-dipropylfluoren-2-yl)butylidene]amino] acetate
CID 123664259
2-(7-nitro-9,9-dioctylfluoren-2-yl)-6-pyridin-2-ylpyridine
CID 102098891
N-[bis[1-(2-methylphenyl)-7-nitro-9,9-dipropylfluoren-2-yl]methylidene]hydroxylamine
CID 129094210

Frequently Asked Questions

What is the IUPAC name of N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine (CID 131735412) is N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine is CCCCC1(CCCC)c2cc(C(C)=NO)ccc2-c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine?
The InChIKey is VFSCQHDZMFJHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-6-12-23(13-7-5-2)21-14-17(16(3)24-26)8-10-19(21)20-11-9-18(25(27)28)15-22(20)23/h8-11,14-15,26H,4-7,12-13H2,1-3H3.
What are the key properties of N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine?
N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine has a molecular weight of 380.49 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 131735412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).