methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate

C14H16N2O3 — CID 18525170

IUPACmethyl N-[2-(cyclopentylideneamino)benzoyl]carbamate
SMILESCOC(=O)NC(=O)c1ccccc1N=C1CCCC1
InChIInChI=1S/C14H16N2O3/c1-19-14(18)16-13(17)11-8-4-5-9-12(11)15-10-6-2-3-7-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17,18)
InChIKeyBQMWFZMODAGDBZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.83
Rot. Bonds2

About methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate

methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate (PubChem CID 18525170) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(cyclopentylideneamino)benzoyl]carbamate
PubChem CID18525170
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl N-[2-(cyclopentylideneamino)benzoyl]carbamate
SMILESCOC(=O)NC(=O)c1ccccc1N=C1CCCC1
InChIInChI=1S/C14H16N2O3/c1-19-14(18)16-13(17)11-8-4-5-9-12(11)15-10-6-2-3-7-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17,18)
InChIKeyBQMWFZMODAGDBZ-UHFFFAOYSA-N
XLogP2.83
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate?
The IUPAC name of methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate (CID 18525170) is methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate.
What is the SMILES notation for methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate?
The canonical SMILES for methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate is COC(=O)NC(=O)c1ccccc1N=C1CCCC1.
What is the InChIKey of methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate?
The InChIKey is BQMWFZMODAGDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-14(18)16-13(17)11-8-4-5-9-12(11)15-10-6-2-3-7-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17,18).
What are the key properties of methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate?
methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate has a molecular weight of 260.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(cyclopentylideneamino)benzoyl]carbamate is sourced from PubChem (CID 18525170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).