azetidin-1-yl-(2-methylcyclopropyl)methanone

C8H13NO — CID 91990919

IUPACazetidin-1-yl-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCC1
InChIInChI=1S/C8H13NO/c1-6-5-7(6)8(10)9-3-2-4-9/h6-7H,2-5H2,1H3
InChIKeyMADAJOCLFNBHIP-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.87
Rot. Bonds1

About azetidin-1-yl-(2-methylcyclopropyl)methanone

azetidin-1-yl-(2-methylcyclopropyl)methanone (PubChem CID 91990919) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is azetidin-1-yl-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(2-methylcyclopropyl)methanone
PubChem CID91990919
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Nameazetidin-1-yl-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCC1
InChIInChI=1S/C8H13NO/c1-6-5-7(6)8(10)9-3-2-4-9/h6-7H,2-5H2,1H3
InChIKeyMADAJOCLFNBHIP-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(2-methylcyclopropyl)methanone
CID 63394830
(3-hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
(3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 80661058
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
[4-(2-hydroxyethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 43416228
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 131113542
[(2R)-2-fluorocyclopropyl]-pyrrolidin-1-ylmethanone
CID 139324368
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 103900359

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2-methylcyclopropyl)methanone?
The IUPAC name of azetidin-1-yl-(2-methylcyclopropyl)methanone (CID 91990919) is azetidin-1-yl-(2-methylcyclopropyl)methanone.
What is the SMILES notation for azetidin-1-yl-(2-methylcyclopropyl)methanone?
The canonical SMILES for azetidin-1-yl-(2-methylcyclopropyl)methanone is CC1CC1C(=O)N1CCC1.
What is the InChIKey of azetidin-1-yl-(2-methylcyclopropyl)methanone?
The InChIKey is MADAJOCLFNBHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-5-7(6)8(10)9-3-2-4-9/h6-7H,2-5H2,1H3.
What are the key properties of azetidin-1-yl-(2-methylcyclopropyl)methanone?
azetidin-1-yl-(2-methylcyclopropyl)methanone has a molecular weight of 139.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 91990919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).