(2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole

C12H15N — CID 11298239

IUPAC(2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
SMILESC[C@@H]1C[C@H]2Cc3ccccc3N2C1
InChIInChI=1S/C12H15N/c1-9-6-11-7-10-4-2-3-5-12(10)13(11)8-9/h2-5,9,11H,6-8H2,1H3/t9-,11+/m1/s1
InChIKeyRJBUZIKYMFUWAC-KOLCDFICSA-N
MW173.26 g/mol
LogP2.46
Rot. Bonds

About (2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole

(2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole (PubChem CID 11298239) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name(2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
PubChem CID11298239
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
SMILESC[C@@H]1C[C@H]2Cc3ccccc3N2C1
InChIInChI=1S/C12H15N/c1-9-6-11-7-10-4-2-3-5-12(10)13(11)8-9/h2-5,9,11H,6-8H2,1H3/t9-,11+/m1/s1
InChIKeyRJBUZIKYMFUWAC-KOLCDFICSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one
CID 114762215
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
CID 105455172
3-methyl-1-piperidin-3-yl-3,4-dihydro-2H-quinoline
CID 63524612
N-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-amine
CID 114763315
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
(2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole
CID 102058923
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylcyclohexan-1-amine
CID 114763316
CID 119080553
CID 119080553
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 15304197
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913
[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine
CID 80999104
(2R)-1-iodo-2-methyl-2,3-dihydroindole
CID 142057461

Frequently Asked Questions

What is the IUPAC name of (2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole?
The IUPAC name of (2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole (CID 11298239) is (2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole.
What is the SMILES notation for (2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole?
The canonical SMILES for (2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole is C[C@@H]1C[C@H]2Cc3ccccc3N2C1.
What is the InChIKey of (2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole?
The InChIKey is RJBUZIKYMFUWAC-KOLCDFICSA-N. The full InChI is InChI=1S/C12H15N/c1-9-6-11-7-10-4-2-3-5-12(10)13(11)8-9/h2-5,9,11H,6-8H2,1H3/t9-,11+/m1/s1.
What are the key properties of (2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole?
(2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole has a molecular weight of 173.26 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 11298239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).