N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide

C13H23NO2 — CID 166444146

IUPACN-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide
SMILESC=C[C@H](NC(=O)C1CC1)[C@H](O)CCCCC
InChIInChI=1S/C13H23NO2/c1-3-5-6-7-12(15)11(4-2)14-13(16)10-8-9-10/h4,10-12,15H,2-3,5-9H2,1H3,(H,14,16)/t11-,12+/m0/s1
InChIKeyFTLKHKPITDLDCZ-NWDGAFQWSA-N
MW225.33 g/mol
LogP2.01
Rot. Bonds8

About N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide

N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide (PubChem CID 166444146) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide
PubChem CID166444146
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide
SMILESC=C[C@H](NC(=O)C1CC1)[C@H](O)CCCCC
InChIInChI=1S/C13H23NO2/c1-3-5-6-7-12(15)11(4-2)14-13(16)10-8-9-10/h4,10-12,15H,2-3,5-9H2,1H3,(H,14,16)/t11-,12+/m0/s1
InChIKeyFTLKHKPITDLDCZ-NWDGAFQWSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide 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 N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide (CID 166444146) is N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide is C=C[C@H](NC(=O)C1CC1)[C@H](O)CCCCC.
What is the InChIKey of N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide?
The InChIKey is FTLKHKPITDLDCZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-5-6-7-12(15)11(4-2)14-13(16)10-8-9-10/h4,10-12,15H,2-3,5-9H2,1H3,(H,14,16)/t11-,12+/m0/s1.
What are the key properties of N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide?
N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166444146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).