N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide

C12H21NO2 — CID 103855439

IUPACN-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NC1CCCCC1O
InChIInChI=1S/C12H21NO2/c1-12(2)7-8(12)11(15)13-9-5-3-4-6-10(9)14/h8-10,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyASFCFWKQLOFIRR-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.45
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 103855439) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID103855439
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NC1CCCCC1O
InChIInChI=1S/C12H21NO2/c1-12(2)7-8(12)11(15)13-9-5-3-4-6-10(9)14/h8-10,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyASFCFWKQLOFIRR-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 103855439) is N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is ASFCFWKQLOFIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2)7-8(12)11(15)13-9-5-3-4-6-10(9)14/h8-10,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 103855439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).