(cyclopentylideneamino) N-(4-methylphenyl)carbamate

C13H16N2O2 — CID 819097

IUPAC(cyclopentylideneamino) N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)ON=C2CCCC2)cc1
InChIInChI=1S/C13H16N2O2/c1-10-6-8-11(9-7-10)14-13(16)17-15-12-4-2-3-5-12/h6-9H,2-5H2,1H3,(H,14,16)
InChIKeyHVOYKTIJNJWOGS-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.47
Rot. Bonds2

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

(cyclopentylideneamino) N-(4-methylphenyl)carbamate (PubChem CID 819097) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (cyclopentylideneamino) N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name(cyclopentylideneamino) N-(4-methylphenyl)carbamate
PubChem CID819097
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(cyclopentylideneamino) N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)ON=C2CCCC2)cc1
InChIInChI=1S/C13H16N2O2/c1-10-6-8-11(9-7-10)14-13(16)17-15-12-4-2-3-5-12/h6-9H,2-5H2,1H3,(H,14,16)
InChIKeyHVOYKTIJNJWOGS-UHFFFAOYSA-N
XLogP3.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.47
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-methylphenyl)carbamate?
The IUPAC name of (cyclopentylideneamino) N-(4-methylphenyl)carbamate (CID 819097) is (cyclopentylideneamino) N-(4-methylphenyl)carbamate.
What is the SMILES notation for (cyclopentylideneamino) N-(4-methylphenyl)carbamate?
The canonical SMILES for (cyclopentylideneamino) N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)ON=C2CCCC2)cc1.
What is the InChIKey of (cyclopentylideneamino) N-(4-methylphenyl)carbamate?
The InChIKey is HVOYKTIJNJWOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-6-8-11(9-7-10)14-13(16)17-15-12-4-2-3-5-12/h6-9H,2-5H2,1H3,(H,14,16).
What are the key properties of (cyclopentylideneamino) N-(4-methylphenyl)carbamate?
(cyclopentylideneamino) N-(4-methylphenyl)carbamate has a molecular weight of 232.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopentylideneamino) N-(4-methylphenyl)carbamate is sourced from PubChem (CID 819097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).