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

C12H16N2O — CID 105456525

IUPAC5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine
SMILESCOc1cccc2c1CC1CC(N)CN21
InChIInChI=1S/C12H16N2O/c1-15-12-4-2-3-11-10(12)6-9-5-8(13)7-14(9)11/h2-4,8-9H,5-7,13H2,1H3
InChIKeyFBCMQAUAJNZRBF-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.16
Rot. Bonds1

About 5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine

5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine (PubChem CID 105456525) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine.

Molecular Properties

Compound Name5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine
PubChem CID105456525
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine
SMILESCOc1cccc2c1CC1CC(N)CN21
InChIInChI=1S/C12H16N2O/c1-15-12-4-2-3-11-10(12)6-9-5-8(13)7-14(9)11/h2-4,8-9H,5-7,13H2,1H3
InChIKeyFBCMQAUAJNZRBF-UHFFFAOYSA-N
XLogP1.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-5-ol
CID 105444328
(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one
CID 59627133
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63820817
7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine
CID 67963135
(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
CID 117199162
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine
CID 105443276
(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343
4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one
CID 83807533
4-methoxy-1,3-dihydroisoindol-2-amine
CID 125426011
(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130898771
1-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117199169

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine?
The IUPAC name of 5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine (CID 105456525) is 5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine.
What is the SMILES notation for 5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine?
The canonical SMILES for 5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine is COc1cccc2c1CC1CC(N)CN21.
What is the InChIKey of 5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine?
The InChIKey is FBCMQAUAJNZRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-12-4-2-3-11-10(12)6-9-5-8(13)7-14(9)11/h2-4,8-9H,5-7,13H2,1H3.
What are the key properties of 5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine?
5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine has a molecular weight of 204.27 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine is sourced from PubChem (CID 105456525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).