3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol

C12H14N2O — CID 142132542

IUPAC3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol
SMILESC=C(O)C(N)c1cc2cc(C)ccc2[nH]1
InChIInChI=1S/C12H14N2O/c1-7-3-4-10-9(5-7)6-11(14-10)12(13)8(2)15/h3-6,12,14-15H,2,13H2,1H3
InChIKeyIHTSUYJPOSKDAO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.55
Rot. Bonds2

About 3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol

3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol (PubChem CID 142132542) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol.

Molecular Properties

Compound Name3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol
PubChem CID142132542
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol
SMILESC=C(O)C(N)c1cc2cc(C)ccc2[nH]1
InChIInChI=1S/C12H14N2O/c1-7-3-4-10-9(5-7)6-11(14-10)12(13)8(2)15/h3-6,12,14-15H,2,13H2,1H3
InChIKeyIHTSUYJPOSKDAO-UHFFFAOYSA-N
XLogP2.55
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine
CID 131036821
5-methyl-2-[(1S)-2-nitro-1-phenylethyl]-1H-indole
CID 135007255
4-(5-methyl-1H-indol-2-yl)aniline
CID 15322512
2-methanidyl-5-methyl-1H-indole;yttrium
CID 59004658
2-(5-methyl-1H-indol-2-yl)ethanol
CID 83674310
1-(5-methyl-1H-indol-2-yl)cyclopropan-1-amine
CID 82405741
2,5-dimethyl-1H-indole;ethane;propane
CID 144992538
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one
CID 135015911
1-(5-tert-butyl-1H-indol-2-yl)ethanamine
CID 84622424

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol?
The IUPAC name of 3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol (CID 142132542) is 3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol.
What is the SMILES notation for 3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol?
The canonical SMILES for 3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol is C=C(O)C(N)c1cc2cc(C)ccc2[nH]1.
What is the InChIKey of 3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol?
The InChIKey is IHTSUYJPOSKDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7-3-4-10-9(5-7)6-11(14-10)12(13)8(2)15/h3-6,12,14-15H,2,13H2,1H3.
What are the key properties of 3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol?
3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol has a molecular weight of 202.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-methyl-1H-indol-2-yl)prop-1-en-2-ol is sourced from PubChem (CID 142132542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).