1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride

C13H17Cl2NO — CID 13086941

IUPAC1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride
SMILESC/N=C(\c1ccccc1Cl)C1(O)CCCC1.Cl
InChIInChI=1S/C13H16ClNO.ClH/c1-15-12(13(16)8-4-5-9-13)10-6-2-3-7-11(10)14;/h2-3,6-7,16H,4-5,8-9H2,1H3;1H/b15-12+;
InChIKeyCKDXSVLVPYBGPG-JRUHLWALSA-N
MW274.19 g/mol
LogP3.49
Rot. Bonds2

About 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride

1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride (PubChem CID 13086941) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride
PubChem CID13086941
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride
SMILESC/N=C(\c1ccccc1Cl)C1(O)CCCC1.Cl
InChIInChI=1S/C13H16ClNO.ClH/c1-15-12(13(16)8-4-5-9-13)10-6-2-3-7-11(10)14;/h2-3,6-7,16H,4-5,8-9H2,1H3;1H/b15-12+;
InChIKeyCKDXSVLVPYBGPG-JRUHLWALSA-N
XLogP3.49
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride?
The IUPAC name of 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride (CID 13086941) is 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride.
What is the SMILES notation for 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride?
The canonical SMILES for 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride is C/N=C(\c1ccccc1Cl)C1(O)CCCC1.Cl.
What is the InChIKey of 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride?
The InChIKey is CKDXSVLVPYBGPG-JRUHLWALSA-N. The full InChI is InChI=1S/C13H16ClNO.ClH/c1-15-12(13(16)8-4-5-9-13)10-6-2-3-7-11(10)14;/h2-3,6-7,16H,4-5,8-9H2,1H3;1H/b15-12+;.
What are the key properties of 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride?
1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride has a molecular weight of 274.19 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol;hydrochloride is sourced from PubChem (CID 13086941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).