[(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone

C10H15NO — CID 143898031

IUPAC[(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone
SMILESC=C[C@@H]1C[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C10H15NO/c1-2-8-7-9(8)10(12)11-5-3-4-6-11/h2,8-9H,1,3-7H2/t8-,9+/m1/s1
InChIKeyQOQHUQILYXNXQG-BDAKNGLRSA-N
MW165.24 g/mol
LogP1.43
Rot. Bonds2

About [(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone

[(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 143898031) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is [(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID143898031
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name[(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone
SMILESC=C[C@@H]1C[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C10H15NO/c1-2-8-7-9(8)10(12)11-5-3-4-6-11/h2,8-9H,1,3-7H2/t8-,9+/m1/s1
InChIKeyQOQHUQILYXNXQG-BDAKNGLRSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
cis-dimethyl (3S,4R)-3-ethenyl-4-(pyrrolidine-1-carbonyl)cyclopentane-1,1-dicarboxylate
CID 101363040
[(2R)-2-fluorocyclopropyl]-pyrrolidin-1-ylmethanone
CID 139324368
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
[(2S)-2-fluorocyclopropyl]-piperidin-1-ylmethanone
CID 154357198
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120977278
[(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 21177985
methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone (CID 143898031) is [(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone is C=C[C@@H]1C[C@@H]1C(=O)N1CCCC1.
What is the InChIKey of [(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QOQHUQILYXNXQG-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-8-7-9(8)10(12)11-5-3-4-6-11/h2,8-9H,1,3-7H2/t8-,9+/m1/s1.
What are the key properties of [(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone?
[(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 165.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 143898031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).