2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine

C11H13N3 — CID 55272808

IUPAC2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine
SMILESC=C[C@H](N)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C11H13N3/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h2-6,9,14H,1,12-13H2/t9-/m0/s1
InChIKeyZTSFBEDONPEGKQ-VIFPVBQESA-N
MW187.25 g/mol
LogP1.94
Rot. Bonds2

About 2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine

2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine (PubChem CID 55272808) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine.

Molecular Properties

Compound Name2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine
PubChem CID55272808
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine
SMILESC=C[C@H](N)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C11H13N3/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h2-6,9,14H,1,12-13H2/t9-/m0/s1
InChIKeyZTSFBEDONPEGKQ-VIFPVBQESA-N
XLogP1.94
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine
CID 131036821
(1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine
CID 131048155
1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine
CID 130000362
4-(1-aminoprop-2-enyl)-3-methylaniline
CID 55283470
2-[(2S)-azetidin-2-yl]-1H-indol-5-amine
CID 55272809
6-amino-3-methyl-1H-quinolin-2-one
CID 28809409
6-amino-3-phenyl-1H-quinolin-2-one
CID 118872239
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol
CID 142132542
6-amino-3-(aminomethyl)-1H-quinolin-2-one
CID 82504541
6-amino-3-ethyl-1H-quinolin-2-one
CID 172552849

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine?
The IUPAC name of 2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine (CID 55272808) is 2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine.
What is the SMILES notation for 2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine?
The canonical SMILES for 2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine is C=C[C@H](N)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine?
The InChIKey is ZTSFBEDONPEGKQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h2-6,9,14H,1,12-13H2/t9-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine?
2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine has a molecular weight of 187.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine is sourced from PubChem (CID 55272808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).