1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine

C14H21N — CID 166025894

IUPAC1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine
SMILESC[C@@H]1CC2C=CC=CC2C1N1CCCC1
InChIInChI=1S/C14H21N/c1-11-10-12-6-2-3-7-13(12)14(11)15-8-4-5-9-15/h2-3,6-7,11-14H,4-5,8-10H2,1H3/t11-,12?,13?,14?/m1/s1
InChIKeyGTCUXRGPWYTYDL-NTXGFPLRSA-N
MW203.33 g/mol
LogP2.85
Rot. Bonds1

About 1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine

1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine (PubChem CID 166025894) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine
PubChem CID166025894
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine
SMILESC[C@@H]1CC2C=CC=CC2C1N1CCCC1
InChIInChI=1S/C14H21N/c1-11-10-12-6-2-3-7-13(12)14(11)15-8-4-5-9-15/h2-3,6-7,11-14H,4-5,8-10H2,1H3/t11-,12?,13?,14?/m1/s1
InChIKeyGTCUXRGPWYTYDL-NTXGFPLRSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole
CID 135219400
7-methylbicyclo[4.2.0]octa-2,4-diene
CID 14703991
2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64753048
1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine
CID 59964096
(1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 15188056
(1R,2R,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 15188055
tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene
CID 59047597
(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 156675189
carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 162298480
2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene
CID 142195089
1,2,3,4,4a,8a-hexahydronaphthalene;methanamine
CID 143180898
1-bromo-2-ethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 91609327

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine?
The IUPAC name of 1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine (CID 166025894) is 1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine.
What is the SMILES notation for 1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine?
The canonical SMILES for 1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine is C[C@@H]1CC2C=CC=CC2C1N1CCCC1.
What is the InChIKey of 1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine?
The InChIKey is GTCUXRGPWYTYDL-NTXGFPLRSA-N. The full InChI is InChI=1S/C14H21N/c1-11-10-12-6-2-3-7-13(12)14(11)15-8-4-5-9-15/h2-3,6-7,11-14H,4-5,8-10H2,1H3/t11-,12?,13?,14?/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine?
1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine is sourced from PubChem (CID 166025894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).