methyl N-(3-acetylcyclopentyl)carbamate

C9H15NO3 — CID 77342525

IUPACmethyl N-(3-acetylcyclopentyl)carbamate
SMILESCOC(=O)NC1CCC(C(C)=O)C1
InChIInChI=1S/C9H15NO3/c1-6(11)7-3-4-8(5-7)10-9(12)13-2/h7-8H,3-5H2,1-2H3,(H,10,12)
InChIKeyINHKMOHSLVJSAN-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.10
Rot. Bonds2

About methyl N-(3-acetylcyclopentyl)carbamate

methyl N-(3-acetylcyclopentyl)carbamate (PubChem CID 77342525) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl N-(3-acetylcyclopentyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-acetylcyclopentyl)carbamate
PubChem CID77342525
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl N-(3-acetylcyclopentyl)carbamate
SMILESCOC(=O)NC1CCC(C(C)=O)C1
InChIInChI=1S/C9H15NO3/c1-6(11)7-3-4-8(5-7)10-9(12)13-2/h7-8H,3-5H2,1-2H3,(H,10,12)
InChIKeyINHKMOHSLVJSAN-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3-acetylcyclopentyl)carbamate?
The IUPAC name of methyl N-(3-acetylcyclopentyl)carbamate (CID 77342525) is methyl N-(3-acetylcyclopentyl)carbamate.
What is the SMILES notation for methyl N-(3-acetylcyclopentyl)carbamate?
The canonical SMILES for methyl N-(3-acetylcyclopentyl)carbamate is COC(=O)NC1CCC(C(C)=O)C1.
What is the InChIKey of methyl N-(3-acetylcyclopentyl)carbamate?
The InChIKey is INHKMOHSLVJSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(11)7-3-4-8(5-7)10-9(12)13-2/h7-8H,3-5H2,1-2H3,(H,10,12).
What are the key properties of methyl N-(3-acetylcyclopentyl)carbamate?
methyl N-(3-acetylcyclopentyl)carbamate has a molecular weight of 185.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-acetylcyclopentyl)carbamate is sourced from PubChem (CID 77342525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).