(1-chlorocyclohexyl)carbamic acid;hydrochloride

C7H13Cl2NO2 — CID 70548635

IUPAC(1-chlorocyclohexyl)carbamic acid;hydrochloride
SMILESCl.O=C(O)NC1(Cl)CCCCC1
InChIInChI=1S/C7H12ClNO2.ClH/c8-7(9-6(10)11)4-2-1-3-5-7;/h9H,1-5H2,(H,10,11);1H
InChIKeyLVRTWMSYDNSYRX-UHFFFAOYSA-N
MW214.09 g/mol
LogP2.58
Rot. Bonds1

About (1-chlorocyclohexyl)carbamic acid;hydrochloride

(1-chlorocyclohexyl)carbamic acid;hydrochloride (PubChem CID 70548635) has the molecular formula C7H13Cl2NO2 and a molecular weight of 214.09 g/mol. Its IUPAC name is (1-chlorocyclohexyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Name(1-chlorocyclohexyl)carbamic acid;hydrochloride
PubChem CID70548635
Molecular FormulaC7H13Cl2NO2
Molecular Weight214.09 g/mol
Exact Mass213.03
IUPAC Name(1-chlorocyclohexyl)carbamic acid;hydrochloride
SMILESCl.O=C(O)NC1(Cl)CCCCC1
InChIInChI=1S/C7H12ClNO2.ClH/c8-7(9-6(10)11)4-2-1-3-5-7;/h9H,1-5H2,(H,10,11);1H
InChIKeyLVRTWMSYDNSYRX-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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3-amino-N-[1-(hydroxymethyl)cyclohexyl]propanamide
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(1-cyclohexylsulfonylcyclohexyl)carbamic acid
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2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
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(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride
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3-(1-chlorocyclohexyl)oxy-3-oxopropanoic acid
CID 176896401
1,1-dichlorocyclohexane;dihydrochloride
CID 175162377
cyclohexane-1,1-dicarboxylic acid
CID 70539849
cyclooctane-1,1-dicarboxylic acid
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cyclotritriacontane-1,1,12,12,23,23-hexacarboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (1-chlorocyclohexyl)carbamic acid;hydrochloride?
The IUPAC name of (1-chlorocyclohexyl)carbamic acid;hydrochloride (CID 70548635) is (1-chlorocyclohexyl)carbamic acid;hydrochloride.
What is the SMILES notation for (1-chlorocyclohexyl)carbamic acid;hydrochloride?
The canonical SMILES for (1-chlorocyclohexyl)carbamic acid;hydrochloride is Cl.O=C(O)NC1(Cl)CCCCC1.
What is the InChIKey of (1-chlorocyclohexyl)carbamic acid;hydrochloride?
The InChIKey is LVRTWMSYDNSYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2.ClH/c8-7(9-6(10)11)4-2-1-3-5-7;/h9H,1-5H2,(H,10,11);1H.
What are the key properties of (1-chlorocyclohexyl)carbamic acid;hydrochloride?
(1-chlorocyclohexyl)carbamic acid;hydrochloride has a molecular weight of 214.09 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chlorocyclohexyl)carbamic acid;hydrochloride is sourced from PubChem (CID 70548635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).