[5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone

C19H17NO3 — CID 146306159

IUPAC[5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(C=C2CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H17NO3/c21-19(16-8-2-1-3-9-16)17-13-15(10-11-18(17)20(22)23)12-14-6-4-5-7-14/h1-3,8-13H,4-7H2
InChIKeyVUUZGOMADFOWTH-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.78
Rot. Bonds4

About [5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone

[5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone (PubChem CID 146306159) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone
PubChem CID146306159
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(C=C2CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H17NO3/c21-19(16-8-2-1-3-9-16)17-13-15(10-11-18(17)20(22)23)12-14-6-4-5-7-14/h1-3,8-13H,4-7H2
InChIKeyVUUZGOMADFOWTH-UHFFFAOYSA-N
XLogP4.78
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-nitro-5-[(E)-2-pyrrolidin-2-ylethenyl]phenyl]-phenylmethanone
CID 146306175
[5-[(E)-2-(5-bromofuran-2-yl)ethenyl]-2-nitrophenyl]-phenylmethanone
CID 146306094
[2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone
CID 146306172
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
CID 174984132
(3-amino-4-nitrophenyl)-phenylmethanone
CID 4017647
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
4-[(3-fluoro-4-nitrophenyl)methylidene]piperidine-1-carboxylic acid
CID 67190864
2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
CID 174848251
isothiocyanic acid;(2-nitrophenyl)-phenylmethanone
CID 174455888

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone?
The IUPAC name of [5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone (CID 146306159) is [5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone.
What is the SMILES notation for [5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone?
The canonical SMILES for [5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(C=C2CCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of [5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone?
The InChIKey is VUUZGOMADFOWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-19(16-8-2-1-3-9-16)17-13-15(10-11-18(17)20(22)23)12-14-6-4-5-7-14/h1-3,8-13H,4-7H2.
What are the key properties of [5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone?
[5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone has a molecular weight of 307.35 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopentylidenemethyl)-2-nitrophenyl]-phenylmethanone is sourced from PubChem (CID 146306159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).