(1-prop-2-ynylcyclohexyl) carbamate

C10H15NO2 — CID 9661

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IUPAC(1-prop-2-ynylcyclohexyl) carbamate
SMILESC#CCC1(OC(N)=O)CCCCC1
InChIInChI=1S/C10H15NO2/c1-2-6-10(13-9(11)12)7-4-3-5-8-10/h1H,3-8H2,(H2,11,12)
InChIKeyMIRHIEAGDGUXKL-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.81
Rot. Bonds2

About (1-prop-2-ynylcyclohexyl) carbamate

(1-prop-2-ynylcyclohexyl) carbamate (PubChem CID 9661) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (1-prop-2-ynylcyclohexyl) carbamate.

Molecular Properties

Compound Name(1-prop-2-ynylcyclohexyl) carbamate
PubChem CID9661
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(1-prop-2-ynylcyclohexyl) carbamate
SMILESC#CCC1(OC(N)=O)CCCCC1
InChIInChI=1S/C10H15NO2/c1-2-6-10(13-9(11)12)7-4-3-5-8-10/h1H,3-8H2,(H2,11,12)
InChIKeyMIRHIEAGDGUXKL-UHFFFAOYSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Related Compounds

Ethinamate
CID 3284
Carbamic acid, 1-ethylcyclohexyl ester
CID 47207
1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate
CID 218955
Carbamic acid;1-ethynylcyclohexan-1-ol
CID 85606487
(1-Methylcyclohexyl) carbamate
CID 12129074
(1-Butylcyclohexyl) carbamate
CID 20429703
(1-Prop-1-ynylcyclohexyl) carbamate
CID 23616822
[1-(3-Iodoprop-2-ynyl)cyclohexyl] carbamate
CID 53810435
(3-Iodo-1-prop-2-ynylcyclohexyl) carbamate
CID 87570148
(4-Ethynylcyclohexyl) carbamate
CID 153960716
(1-prop-2-ynylcyclohexyl) N-iodocarbamate
CID 174325444
Cyclohexanone, 4-[(aminocarbonyl)oxy]-4-(2-propynyl)-
CID 13197744

Frequently Asked Questions

What is the IUPAC name of (1-prop-2-ynylcyclohexyl) carbamate?
The IUPAC name of (1-prop-2-ynylcyclohexyl) carbamate (CID 9661) is (1-prop-2-ynylcyclohexyl) carbamate.
What is the SMILES notation for (1-prop-2-ynylcyclohexyl) carbamate?
The canonical SMILES for (1-prop-2-ynylcyclohexyl) carbamate is C#CCC1(OC(N)=O)CCCCC1.
What is the InChIKey of (1-prop-2-ynylcyclohexyl) carbamate?
The InChIKey is MIRHIEAGDGUXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-6-10(13-9(11)12)7-4-3-5-8-10/h1H,3-8H2,(H2,11,12).
What are the key properties of (1-prop-2-ynylcyclohexyl) carbamate?
(1-prop-2-ynylcyclohexyl) carbamate has a molecular weight of 181.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-ynylcyclohexyl) carbamate is sourced from PubChem (CID 9661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).