2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine

C11H14N2 — CID 82411355

IUPAC2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine
SMILESNC1CCN2c3ccccc3CC12
InChIInChI=1S/C11H14N2/c12-9-5-6-13-10-4-2-1-3-8(10)7-11(9)13/h1-4,9,11H,5-7,12H2
InChIKeyPUKBCOLUSBCKFH-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.15
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine

2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine (PubChem CID 82411355) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine
PubChem CID82411355
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine
SMILESNC1CCN2c3ccccc3CC12
InChIInChI=1S/C11H14N2/c12-9-5-6-13-10-4-2-1-3-8(10)7-11(9)13/h1-4,9,11H,5-7,12H2
InChIKeyPUKBCOLUSBCKFH-UHFFFAOYSA-N
XLogP1.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine
CID 79396789
1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol
CID 82404420
2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid
CID 82390555
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913
8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine
CID 105454768
[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine
CID 80999104
(7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
CID 105459047
(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
CID 56971695
(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454239
(6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine
CID 68677042
3-(2,3-dihydroindol-1-yl)cyclobutan-1-amine
CID 80561205
1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one
CID 167313251

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine (CID 82411355) is 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine is NC1CCN2c3ccccc3CC12.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine?
The InChIKey is PUKBCOLUSBCKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-9-5-6-13-10-4-2-1-3-8(10)7-11(9)13/h1-4,9,11H,5-7,12H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine?
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine has a molecular weight of 174.25 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine is sourced from PubChem (CID 82411355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).