7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid

C17H26N2O3 — CID 23778467

IUPAC7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid
SMILESC=C(C)[C@@H]1CC=C(/C=N/NC(=O)CCCCCC(=O)O)CC1
InChIInChI=1S/C17H26N2O3/c1-13(2)15-10-8-14(9-11-15)12-18-19-16(20)6-4-3-5-7-17(21)22/h8,12,15H,1,3-7,9-11H2,2H3,(H,19,20)(H,21,22)/b18-12+/t15-/m1/s1
InChIKeyKVLTYQXADYNUEK-GYZOOYGHSA-N
MW306.41 g/mol
LogP3.43
Rot. Bonds9

About 7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid

7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid (PubChem CID 23778467) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid.

Molecular Properties

Compound Name7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid
PubChem CID23778467
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid
SMILESC=C(C)[C@@H]1CC=C(/C=N/NC(=O)CCCCCC(=O)O)CC1
InChIInChI=1S/C17H26N2O3/c1-13(2)15-10-8-14(9-11-15)12-18-19-16(20)6-4-3-5-7-17(21)22/h8,12,15H,1,3-7,9-11H2,2H3,(H,19,20)(H,21,22)/b18-12+/t15-/m1/s1
InChIKeyKVLTYQXADYNUEK-GYZOOYGHSA-N
XLogP3.43
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid 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 7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid?
The IUPAC name of 7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid (CID 23778467) is 7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid.
What is the SMILES notation for 7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid?
The canonical SMILES for 7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid is C=C(C)[C@@H]1CC=C(/C=N/NC(=O)CCCCCC(=O)O)CC1.
What is the InChIKey of 7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid?
The InChIKey is KVLTYQXADYNUEK-GYZOOYGHSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(2)15-10-8-14(9-11-15)12-18-19-16(20)6-4-3-5-7-17(21)22/h8,12,15H,1,3-7,9-11H2,2H3,(H,19,20)(H,21,22)/b18-12+/t15-/m1/s1.
What are the key properties of 7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid?
7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid has a molecular weight of 306.41 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-7-[(2E)-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydrazinyl]heptanoic acid is sourced from PubChem (CID 23778467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).