(NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine

C21H41NO — CID 88926429

IUPAC(NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine
SMILESCCCCCCCC/C=C\CCCCCCCC/C(CC)=N/O
InChIInChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(4-2)22-23/h11-12,23H,3-10,13-20H2,1-2H3/b12-11-,22-21+
InChIKeyYUAWSVDTSLQYAR-CAYADMIQSA-N
MW323.56 g/mol
LogP7.65
Rot. Bonds17

About (NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine

(NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine (PubChem CID 88926429) has the molecular formula C21H41NO and a molecular weight of 323.56 g/mol. Its IUPAC name is (NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine
PubChem CID88926429
Molecular FormulaC21H41NO
Molecular Weight323.56 g/mol
Exact Mass323.32
IUPAC Name(NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine
SMILESCCCCCCCC/C=C\CCCCCCCC/C(CC)=N/O
InChIInChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(4-2)22-23/h11-12,23H,3-10,13-20H2,1-2H3/b12-11-,22-21+
InChIKeyYUAWSVDTSLQYAR-CAYADMIQSA-N
XLogP7.65
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.56
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine (CID 88926429) is (NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine is CCCCCCCC/C=C\CCCCCCCC/C(CC)=N/O.
What is the InChIKey of (NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine?
The InChIKey is YUAWSVDTSLQYAR-CAYADMIQSA-N. The full InChI is InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(4-2)22-23/h11-12,23H,3-10,13-20H2,1-2H3/b12-11-,22-21+.
What are the key properties of (NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine?
(NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine has a molecular weight of 323.56 g/mol, XLogP of 7.65, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(Z)-henicos-12-en-3-ylidene]hydroxylamine is sourced from PubChem (CID 88926429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).