1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine

C14H19N — CID 20675116

IUPAC1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine
SMILESCC1=CC2C=CC=CC2C1N1CCCC1
InChIInChI=1S/C14H19N/c1-11-10-12-6-2-3-7-13(12)14(11)15-8-4-5-9-15/h2-3,6-7,10,12-14H,4-5,8-9H2,1H3
InChIKeyRTFMIBJLNNLUFB-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.77
Rot. Bonds1

About 1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine

1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine (PubChem CID 20675116) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine
PubChem CID20675116
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine
SMILESCC1=CC2C=CC=CC2C1N1CCCC1
InChIInChI=1S/C14H19N/c1-11-10-12-6-2-3-7-13(12)14(11)15-8-4-5-9-15/h2-3,6-7,10,12-14H,4-5,8-9H2,1H3
InChIKeyRTFMIBJLNNLUFB-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.77
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

1-Methyl-2,3,3a,7a-tetrahydroindole
CID 20687664
1-(Cyclohexa-1,5-dien-1-ylmethyl)-2-ethyl-3-(trifluoromethyl)pyrrolidine
CID 156071346
5-(6-Fluorocyclohexa-1,5-dien-1-yl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 172346186
2-ethyl-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-2-azabicyclo[2.2.1]hept-5-ene
CID 177350587
5-(6-Fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene
CID 177350599
(5S,8S,8aR)-8-methyl-5-propyl-1,2,3,5,8,8a-hexahydroindolizine
CID 24873534
2-Ethyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 134858474
(4S)-5-(5-fluorocyclohexa-1,5-dien-1-yl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 172345934
(3aR,5R,7aR)-2,5-dimethyl-1,3,3a,4,5,7a-hexahydroisoindole
CID 5325749
(5R,8R,8aS)-5,8-Dipropyl-1,2,3,5,8,8a-hexahydroindolizine
CID 74340586
(5R,8R,8aS)-8-Methyl-5-propyl-1,2,3,5,8,8a-hexahydroindolizine
CID 74340628
2-Butyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 413748

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine?
The IUPAC name of 1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine (CID 20675116) is 1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine.
What is the SMILES notation for 1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine?
The canonical SMILES for 1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine is CC1=CC2C=CC=CC2C1N1CCCC1.
What is the InChIKey of 1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine?
The InChIKey is RTFMIBJLNNLUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-10-12-6-2-3-7-13(12)14(11)15-8-4-5-9-15/h2-3,6-7,10,12-14H,4-5,8-9H2,1H3.
What are the key properties of 1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine?
1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine has a molecular weight of 201.31 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine is sourced from PubChem (CID 20675116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).