(1-prop-1-ynylcyclohexyl) carbamate

C10H15NO2 — CID 23616822

IUPAC(1-prop-1-ynylcyclohexyl) carbamate
SMILESCC#CC1(OC(N)=O)CCCCC1
InChIInChI=1S/C10H15NO2/c1-2-6-10(13-9(11)12)7-4-3-5-8-10/h3-5,7-8H2,1H3,(H2,11,12)
InChIKeyULINNLXVCJEAER-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.81
Rot. Bonds1

About (1-prop-1-ynylcyclohexyl) carbamate

(1-prop-1-ynylcyclohexyl) carbamate (PubChem CID 23616822) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (1-prop-1-ynylcyclohexyl) carbamate.

Molecular Properties

Compound Name(1-prop-1-ynylcyclohexyl) carbamate
PubChem CID23616822
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(1-prop-1-ynylcyclohexyl) carbamate
SMILESCC#CC1(OC(N)=O)CCCCC1
InChIInChI=1S/C10H15NO2/c1-2-6-10(13-9(11)12)7-4-3-5-8-10/h3-5,7-8H2,1H3,(H2,11,12)
InChIKeyULINNLXVCJEAER-UHFFFAOYSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-prop-1-ynylcyclohexyl) carbamate 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 (1-prop-1-ynylcyclohexyl) carbamate?
The IUPAC name of (1-prop-1-ynylcyclohexyl) carbamate (CID 23616822) is (1-prop-1-ynylcyclohexyl) carbamate.
What is the SMILES notation for (1-prop-1-ynylcyclohexyl) carbamate?
The canonical SMILES for (1-prop-1-ynylcyclohexyl) carbamate is CC#CC1(OC(N)=O)CCCCC1.
What is the InChIKey of (1-prop-1-ynylcyclohexyl) carbamate?
The InChIKey is ULINNLXVCJEAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-6-10(13-9(11)12)7-4-3-5-8-10/h3-5,7-8H2,1H3,(H2,11,12).
What are the key properties of (1-prop-1-ynylcyclohexyl) carbamate?
(1-prop-1-ynylcyclohexyl) carbamate has a molecular weight of 181.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-1-ynylcyclohexyl) carbamate is sourced from PubChem (CID 23616822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).