(NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine

C10H18N2O — CID 137315977

IUPAC(NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine
SMILESC=CC/N=C(CC)/C(CCC)=N/O
InChIInChI=1S/C10H18N2O/c1-4-7-10(12-13)9(6-3)11-8-5-2/h5,13H,2,4,6-8H2,1,3H3/b11-9+,12-10+
InChIKeyFVMLRPDHRQFCFL-WGDLNXRISA-N
MW182.27 g/mol
LogP2.65
Rot. Bonds6

About (NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine

(NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine (PubChem CID 137315977) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine
PubChem CID137315977
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine
SMILESC=CC/N=C(CC)/C(CCC)=N/O
InChIInChI=1S/C10H18N2O/c1-4-7-10(12-13)9(6-3)11-8-5-2/h5,13H,2,4,6-8H2,1,3H3/b11-9+,12-10+
InChIKeyFVMLRPDHRQFCFL-WGDLNXRISA-N
XLogP2.65
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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'}

Analyze (NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine (CID 137315977) is (NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine is C=CC/N=C(CC)/C(CCC)=N/O.
What is the InChIKey of (NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine?
The InChIKey is FVMLRPDHRQFCFL-WGDLNXRISA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-7-10(12-13)9(6-3)11-8-5-2/h5,13H,2,4,6-8H2,1,3H3/b11-9+,12-10+.
What are the key properties of (NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine?
(NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine has a molecular weight of 182.27 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine is sourced from PubChem (CID 137315977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).