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

C13H16ClNO — CID 13086940

IUPAC1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol
SMILESC/N=C(\c1ccccc1Cl)C1(O)CCCC1
InChIInChI=1S/C13H16ClNO/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/b15-12+
InChIKeyFJGPXUPMNZOTLX-NTCAYCPXSA-N
MW237.73 g/mol
LogP3.06
Rot. Bonds2

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

1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol (PubChem CID 13086940) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol
PubChem CID13086940
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol
SMILESC/N=C(\c1ccccc1Cl)C1(O)CCCC1
InChIInChI=1S/C13H16ClNO/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/b15-12+
InChIKeyFJGPXUPMNZOTLX-NTCAYCPXSA-N
XLogP3.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.06
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?
The IUPAC name of 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol (CID 13086940) is 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol?
The canonical SMILES for 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol is C/N=C(\c1ccccc1Cl)C1(O)CCCC1.
What is the InChIKey of 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol?
The InChIKey is FJGPXUPMNZOTLX-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H16ClNO/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/b15-12+.
What are the key properties of 1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol?
1-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol has a molecular weight of 237.73 g/mol, XLogP of 3.06, 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 is sourced from PubChem (CID 13086940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).