cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride

C9H16ClNO3 — CID 70634173

IUPACcyclohexanecarbonyl(methyl)carbamic acid;hydrochloride
SMILESCN(C(=O)O)C(=O)C1CCCCC1.Cl
InChIInChI=1S/C9H15NO3.ClH/c1-10(9(12)13)8(11)7-5-3-2-4-6-7;/h7H,2-6H2,1H3,(H,12,13);1H
InChIKeySNEJTNPFYGOSPJ-UHFFFAOYSA-N
MW221.68 g/mol
LogP2.12
Rot. Bonds1

About cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride

cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride (PubChem CID 70634173) has the molecular formula C9H16ClNO3 and a molecular weight of 221.68 g/mol. Its IUPAC name is cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Namecyclohexanecarbonyl(methyl)carbamic acid;hydrochloride
PubChem CID70634173
Molecular FormulaC9H16ClNO3
Molecular Weight221.68 g/mol
Exact Mass221.08
IUPAC Namecyclohexanecarbonyl(methyl)carbamic acid;hydrochloride
SMILESCN(C(=O)O)C(=O)C1CCCCC1.Cl
InChIInChI=1S/C9H15NO3.ClH/c1-10(9(12)13)8(11)7-5-3-2-4-6-7;/h7H,2-6H2,1H3,(H,12,13);1H
InChIKeySNEJTNPFYGOSPJ-UHFFFAOYSA-N
XLogP2.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride?
The IUPAC name of cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride (CID 70634173) is cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride.
What is the SMILES notation for cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride?
The canonical SMILES for cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride is CN(C(=O)O)C(=O)C1CCCCC1.Cl.
What is the InChIKey of cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride?
The InChIKey is SNEJTNPFYGOSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.ClH/c1-10(9(12)13)8(11)7-5-3-2-4-6-7;/h7H,2-6H2,1H3,(H,12,13);1H.
What are the key properties of cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride?
cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride has a molecular weight of 221.68 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride is sourced from PubChem (CID 70634173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).