(cyclopentylideneamino) N-(4-chlorophenyl)carbamate

C12H13ClN2O2 — CID 789466

IUPAC(cyclopentylideneamino) N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)ON=C1CCCC1
InChIInChI=1S/C12H13ClN2O2/c13-9-5-7-10(8-6-9)14-12(16)17-15-11-3-1-2-4-11/h5-8H,1-4H2,(H,14,16)
InChIKeyXNARUPPBFLWGSI-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.82
Rot. Bonds2

About (cyclopentylideneamino) N-(4-chlorophenyl)carbamate

(cyclopentylideneamino) N-(4-chlorophenyl)carbamate (PubChem CID 789466) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is (cyclopentylideneamino) N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name(cyclopentylideneamino) N-(4-chlorophenyl)carbamate
PubChem CID789466
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name(cyclopentylideneamino) N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)ON=C1CCCC1
InChIInChI=1S/C12H13ClN2O2/c13-9-5-7-10(8-6-9)14-12(16)17-15-11-3-1-2-4-11/h5-8H,1-4H2,(H,14,16)
InChIKeyXNARUPPBFLWGSI-UHFFFAOYSA-N
XLogP3.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cyclopentylideneamino) N-(4-chlorophenyl)carbamate?
The IUPAC name of (cyclopentylideneamino) N-(4-chlorophenyl)carbamate (CID 789466) is (cyclopentylideneamino) N-(4-chlorophenyl)carbamate.
What is the SMILES notation for (cyclopentylideneamino) N-(4-chlorophenyl)carbamate?
The canonical SMILES for (cyclopentylideneamino) N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)ON=C1CCCC1.
What is the InChIKey of (cyclopentylideneamino) N-(4-chlorophenyl)carbamate?
The InChIKey is XNARUPPBFLWGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-9-5-7-10(8-6-9)14-12(16)17-15-11-3-1-2-4-11/h5-8H,1-4H2,(H,14,16).
What are the key properties of (cyclopentylideneamino) N-(4-chlorophenyl)carbamate?
(cyclopentylideneamino) N-(4-chlorophenyl)carbamate has a molecular weight of 252.70 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopentylideneamino) N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 789466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).