(cyclopentylideneamino) N-phenylcarbamate

C12H14N2O2 — CID 789467

IUPAC(cyclopentylideneamino) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)ON=C1CCCC1
InChIInChI=1S/C12H14N2O2/c15-12(13-10-6-2-1-3-7-10)16-14-11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2,(H,13,15)
InChIKeyLCKHLRANAFSULA-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.17
Rot. Bonds2

About (cyclopentylideneamino) N-phenylcarbamate

(cyclopentylideneamino) N-phenylcarbamate (PubChem CID 789467) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (cyclopentylideneamino) N-phenylcarbamate.

Molecular Properties

Compound Name(cyclopentylideneamino) N-phenylcarbamate
PubChem CID789467
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(cyclopentylideneamino) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)ON=C1CCCC1
InChIInChI=1S/C12H14N2O2/c15-12(13-10-6-2-1-3-7-10)16-14-11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2,(H,13,15)
InChIKeyLCKHLRANAFSULA-UHFFFAOYSA-N
XLogP3.17
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.17
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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Related Compounds

2-Propanone O-((phenylamino)carbonyl)oxime
CID 17808
Methyl phenylcarbamate
CID 17451
Phenylcarbamic acid
CID 10392
O-(N-(4-Chlorophenyl)carbamoyl)acetone oxime
CID 220145
N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) ester
CID 819097
N-((Aminooxy)Carbonyl)Aniline
CID 448926
N1-phenyl-2-hydroxyiminopropanamide
CID 9583273
Methyl p-aminophenylcarbamate
CID 80938
(cyclopentylideneamino) N-(4-chlorophenyl)carbamate
CID 789466
2-Butanone, O-(phenylcarbamoyl)oxime
CID 9561017
[(1-chloro-2-methylpropylidene)amino] N-(4-fluorophenyl)carbamate
CID 383627
O-(N-(4-Fluorophenyl)carbamoyl)cyclohexanone oxime
CID 342128

Frequently Asked Questions

What is the IUPAC name of (cyclopentylideneamino) N-phenylcarbamate?
The IUPAC name of (cyclopentylideneamino) N-phenylcarbamate (CID 789467) is (cyclopentylideneamino) N-phenylcarbamate.
What is the SMILES notation for (cyclopentylideneamino) N-phenylcarbamate?
The canonical SMILES for (cyclopentylideneamino) N-phenylcarbamate is O=C(Nc1ccccc1)ON=C1CCCC1.
What is the InChIKey of (cyclopentylideneamino) N-phenylcarbamate?
The InChIKey is LCKHLRANAFSULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12(13-10-6-2-1-3-7-10)16-14-11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2,(H,13,15).
What are the key properties of (cyclopentylideneamino) N-phenylcarbamate?
(cyclopentylideneamino) N-phenylcarbamate has a molecular weight of 218.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopentylideneamino) N-phenylcarbamate is sourced from PubChem (CID 789467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).