cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone

C9H13NO — CID 146353359

IUPACcyclopentyl-(3-methyl-2H-azirin-2-yl)methanone
SMILESCC1=NC1C(=O)C1CCCC1
InChIInChI=1S/C9H13NO/c1-6-8(10-6)9(11)7-4-2-3-5-7/h7-8H,2-5H2,1H3
InChIKeyPLOLIHAYYSKQOL-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.59
Rot. Bonds2

About cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone

cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone (PubChem CID 146353359) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(3-methyl-2H-azirin-2-yl)methanone
PubChem CID146353359
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Namecyclopentyl-(3-methyl-2H-azirin-2-yl)methanone
SMILESCC1=NC1C(=O)C1CCCC1
InChIInChI=1S/C9H13NO/c1-6-8(10-6)9(11)7-4-2-3-5-7/h7-8H,2-5H2,1H3
InChIKeyPLOLIHAYYSKQOL-UHFFFAOYSA-N
XLogP1.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone?
The IUPAC name of cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone (CID 146353359) is cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone.
What is the SMILES notation for cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone?
The canonical SMILES for cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone is CC1=NC1C(=O)C1CCCC1.
What is the InChIKey of cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone?
The InChIKey is PLOLIHAYYSKQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-8(10-6)9(11)7-4-2-3-5-7/h7-8H,2-5H2,1H3.
What are the key properties of cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone?
cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone has a molecular weight of 151.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone is sourced from PubChem (CID 146353359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).