[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone

C14H17NO — CID 15855718

IUPAC[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1C[C@H]2CCC[C@H]2C1
InChIInChI=1S/C14H17NO/c16-14(11-5-2-1-3-6-11)15-9-12-7-4-8-13(12)10-15/h1-3,5-6,12-13H,4,7-10H2/t12-,13+
InChIKeyKJYHUJCPKAVRQX-BETUJISGSA-N
MW215.30 g/mol
LogP2.56
Rot. Bonds1

About [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone

[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone (PubChem CID 15855718) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
PubChem CID15855718
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1C[C@H]2CCC[C@H]2C1
InChIInChI=1S/C14H17NO/c16-14(11-5-2-1-3-6-11)15-9-12-7-4-8-13(12)10-15/h1-3,5-6,12-13H,4,7-10H2/t12-,13+
InChIKeyKJYHUJCPKAVRQX-BETUJISGSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone with MolForge

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Related Compounds

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CID 125473675
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)benzenecarbothioamide
CID 115559904
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-aminophenyl)methanone;hydrochloride
CID 119788128
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096
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CID 124595190
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethanone
CID 110867856
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
(5-hydroxyazocan-1-yl)-phenylmethanone
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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone?
The IUPAC name of [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone (CID 15855718) is [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone.
What is the SMILES notation for [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone?
The canonical SMILES for [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone is O=C(c1ccccc1)N1C[C@H]2CCC[C@H]2C1.
What is the InChIKey of [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone?
The InChIKey is KJYHUJCPKAVRQX-BETUJISGSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(11-5-2-1-3-6-11)15-9-12-7-4-8-13(12)10-15/h1-3,5-6,12-13H,4,7-10H2/t12-,13+.
What are the key properties of [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone?
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone has a molecular weight of 215.30 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone is sourced from PubChem (CID 15855718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).