N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine

C19H23NO — CID 174541917

IUPACN-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine
SMILESC=Cc1ccc(C2=C(C3CCCC3)CCC2C=NO)cc1
InChIInChI=1S/C19H23NO/c1-2-14-7-9-16(10-8-14)19-17(13-20-21)11-12-18(19)15-5-3-4-6-15/h2,7-10,13,15,17,21H,1,3-6,11-12H2
InChIKeyPBAZVOHSGKAHPB-UHFFFAOYSA-N
MW281.40 g/mol
LogP5.14
Rot. Bonds4

About N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine

N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine (PubChem CID 174541917) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine
PubChem CID174541917
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine
SMILESC=Cc1ccc(C2=C(C3CCCC3)CCC2C=NO)cc1
InChIInChI=1S/C19H23NO/c1-2-14-7-9-16(10-8-14)19-17(13-20-21)11-12-18(19)15-5-3-4-6-15/h2,7-10,13,15,17,21H,1,3-6,11-12H2
InChIKeyPBAZVOHSGKAHPB-UHFFFAOYSA-N
XLogP5.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine (CID 174541917) is N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine is C=Cc1ccc(C2=C(C3CCCC3)CCC2C=NO)cc1.
What is the InChIKey of N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine?
The InChIKey is PBAZVOHSGKAHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-14-7-9-16(10-8-14)19-17(13-20-21)11-12-18(19)15-5-3-4-6-15/h2,7-10,13,15,17,21H,1,3-6,11-12H2.
What are the key properties of N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine?
N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine has a molecular weight of 281.40 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-cyclopentyl-2-(4-ethenylphenyl)cyclopent-2-en-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 174541917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).