N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine

C19H17NO3 — CID 3945141

IUPACN-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine
SMILESC=CCOc1ccc2c(c1)C(=NO)c1cc(OCC=C)ccc1-2
InChIInChI=1S/C19H17NO3/c1-3-9-22-13-5-7-15-16-8-6-14(23-10-4-2)12-18(16)19(20-21)17(15)11-13/h3-8,11-12,21H,1-2,9-10H2
InChIKeyZHWDTAIBCPAVJB-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.02
Rot. Bonds6

About N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine

N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine (PubChem CID 3945141) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine
PubChem CID3945141
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC NameN-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine
SMILESC=CCOc1ccc2c(c1)C(=NO)c1cc(OCC=C)ccc1-2
InChIInChI=1S/C19H17NO3/c1-3-9-22-13-5-7-15-16-8-6-14(23-10-4-2)12-18(16)19(20-21)17(15)11-13/h3-8,11-12,21H,1-2,9-10H2
InChIKeyZHWDTAIBCPAVJB-UHFFFAOYSA-N
XLogP4.02
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

2,2'-{[9-(Hydroxyimino)-9H-fluorene-2,7-diyl]bis(oxy)}diacetic acid
CID 3506204
(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
(5R)-5-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561710
2,7-Dimethoxy-9H-fluoren-9-one oxime
CID 620461
2-(2,7-dimethoxy-9H-fluoren-9-ylidene)hydrazinecarboximidamide
CID 4562063
CID 9550556
CID 9550556
(2,7-Dimethoxyfluoren-9-ylidene)hydrazine
CID 3528369
(NE)-N-[2-[2-(dimethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine
CID 10062306
(NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine
CID 10381463
2-(2,7-dipropoxy-9H-fluoren-9-ylidene)hydrazinecarboximidamide
CID 24761588
2-[(2,7-Dipropoxy-9-fluorenylidene)amino]guanidine;hydrochloride
CID 24761589
(NE)-N-[2-(1-methylazepan-3-yl)oxyfluoren-9-ylidene]hydroxylamine
CID 44322292

Frequently Asked Questions

What is the IUPAC name of N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine?
The IUPAC name of N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine (CID 3945141) is N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine.
What is the SMILES notation for N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine?
The canonical SMILES for N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine is C=CCOc1ccc2c(c1)C(=NO)c1cc(OCC=C)ccc1-2.
What is the InChIKey of N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine?
The InChIKey is ZHWDTAIBCPAVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-9-22-13-5-7-15-16-8-6-14(23-10-4-2)12-18(16)19(20-21)17(15)11-13/h3-8,11-12,21H,1-2,9-10H2.
What are the key properties of N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine?
N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine has a molecular weight of 307.35 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,7-bis(prop-2-enoxy)fluoren-9-ylidene]hydroxylamine is sourced from PubChem (CID 3945141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).