[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone

C16H15NO2 — CID 40542856

IUPAC[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone
SMILESCOc1ccc([C@H]2C[C@@H]2C(=O)c2ccccn2)cc1
InChIInChI=1S/C16H15NO2/c1-19-12-7-5-11(6-8-12)13-10-14(13)16(18)15-4-2-3-9-17-15/h2-9,13-14H,10H2,1H3/t13-,14+/m1/s1
InChIKeySNKCTYVWANLSOA-KGLIPLIRSA-N
MW253.30 g/mol
LogP3.08
Rot. Bonds4

About [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone

[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone (PubChem CID 40542856) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone
PubChem CID40542856
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone
SMILESCOc1ccc([C@H]2C[C@@H]2C(=O)c2ccccn2)cc1
InChIInChI=1S/C16H15NO2/c1-19-12-7-5-11(6-8-12)13-10-14(13)16(18)15-4-2-3-9-17-15/h2-9,13-14H,10H2,1H3/t13-,14+/m1/s1
InChIKeySNKCTYVWANLSOA-KGLIPLIRSA-N
XLogP3.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone?
The IUPAC name of [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone (CID 40542856) is [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone?
The canonical SMILES for [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone is COc1ccc([C@H]2C[C@@H]2C(=O)c2ccccn2)cc1.
What is the InChIKey of [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone?
The InChIKey is SNKCTYVWANLSOA-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-12-7-5-11(6-8-12)13-10-14(13)16(18)15-4-2-3-9-17-15/h2-9,13-14H,10H2,1H3/t13-,14+/m1/s1.
What are the key properties of [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone?
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone has a molecular weight of 253.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 40542856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).