2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole

C14H17N — CID 118260991

IUPAC2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CC2C=C(c3ccccc3)CC2C1
InChIInChI=1S/C14H17N/c1-15-9-13-7-12(8-14(13)10-15)11-5-3-2-4-6-11/h2-7,13-14H,8-10H2,1H3
InChIKeyMSGDKPFMDSYWDV-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.65
Rot. Bonds1

About 2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole

2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole (PubChem CID 118260991) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
PubChem CID118260991
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CC2C=C(c3ccccc3)CC2C1
InChIInChI=1S/C14H17N/c1-15-9-13-7-12(8-14(13)10-15)11-5-3-2-4-6-11/h2-7,13-14H,8-10H2,1H3
InChIKeyMSGDKPFMDSYWDV-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenylbicyclo[3.1.0]hex-2-ene
CID 13395700
2-benzyl-5-[4-(trifluoromethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CID 164898794
(1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene
CID 10923696
4-phenylcyclopent-3-ene-1,2-diol
CID 85106712
(1R,3aS,6aS)-1-methyl-5-phenyl-3,3a,4,6a-tetrahydro-2H-pentalen-1-ol
CID 100931282
5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol
CID 57467092
2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrochloride
CID 67162119
(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999
(3S,8S)-5,10-dimethyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene
CID 70633464
5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenyl-1,3-thiazole;hydroiodide
CID 140531409
(3aR,9bR)-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 10261870
7-[3-oxo-3-(5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)prop-1-enyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 123256089

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole (CID 118260991) is 2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole is CN1CC2C=C(c3ccccc3)CC2C1.
What is the InChIKey of 2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is MSGDKPFMDSYWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-15-9-13-7-12(8-14(13)10-15)11-5-3-2-4-6-11/h2-7,13-14H,8-10H2,1H3.
What are the key properties of 2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 199.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 118260991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).