(5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane

C13H17N — CID 53360597

IUPAC(5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane
SMILESCC1C(c2ccccc2)N2CCC[C@@H]12
InChIInChI=1S/C13H17N/c1-10-12-8-5-9-14(12)13(10)11-6-3-2-4-7-11/h2-4,6-7,10,12-13H,5,8-9H2,1H3/t10?,12-,13?/m0/s1
InChIKeyNMYBYVIXLCUXCX-YDGIUTOCSA-N
MW187.29 g/mol
LogP2.84
Rot. Bonds1

About (5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane

(5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane (PubChem CID 53360597) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane
PubChem CID53360597
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane
SMILESCC1C(c2ccccc2)N2CCC[C@@H]12
InChIInChI=1S/C13H17N/c1-10-12-8-5-9-14(12)13(10)11-6-3-2-4-7-11/h2-4,6-7,10,12-13H,5,8-9H2,1H3/t10?,12-,13?/m0/s1
InChIKeyNMYBYVIXLCUXCX-YDGIUTOCSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S)-2-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidine
CID 44456126
(2S)-2-methyl-1-[2-(3-methylphenyl)ethyl]pyrrolidine
CID 44456131
(2R)-2-methyl-1-[2-(3-methylphenyl)ethyl]pyrrolidine
CID 44456132
(2S)-1-Methyl-2-phenylpyrrolidine
CID 12625600
1-Methyl-2-phenylpiperidine
CID 98434
Azetidine, 1-benzyl-2-methyl-
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Frequently Asked Questions

What is the IUPAC name of (5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane?
The IUPAC name of (5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane (CID 53360597) is (5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane?
The canonical SMILES for (5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane is CC1C(c2ccccc2)N2CCC[C@@H]12.
What is the InChIKey of (5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane?
The InChIKey is NMYBYVIXLCUXCX-YDGIUTOCSA-N. The full InChI is InChI=1S/C13H17N/c1-10-12-8-5-9-14(12)13(10)11-6-3-2-4-7-11/h2-4,6-7,10,12-13H,5,8-9H2,1H3/t10?,12-,13?/m0/s1.
What are the key properties of (5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane?
(5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane has a molecular weight of 187.29 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 53360597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).