N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide

C13H12N2O — CID 175538541

IUPACN-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide
SMILESC=CC(=O)/N=C/c1c(C)[nH]c2ccccc12
InChIInChI=1S/C13H12N2O/c1-3-13(16)14-8-11-9(2)15-12-7-5-4-6-10(11)12/h3-8,15H,1H2,2H3/b14-8+
InChIKeyAIKYUMRJIGRGGZ-RIYZIHGNSA-N
MW212.25 g/mol
LogP2.61
Rot. Bonds2

About N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide

N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide (PubChem CID 175538541) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide
PubChem CID175538541
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide
SMILESC=CC(=O)/N=C/c1c(C)[nH]c2ccccc12
InChIInChI=1S/C13H12N2O/c1-3-13(16)14-8-11-9(2)15-12-7-5-4-6-10(11)12/h3-8,15H,1H2,2H3/b14-8+
InChIKeyAIKYUMRJIGRGGZ-RIYZIHGNSA-N
XLogP2.61
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
(E)-4-(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 960498
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
(E)-2-methyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 116866126
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135421558
N'-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135574727
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline
CID 135758920
1-ethyl-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135846336
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide
CID 136899350
1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine
CID 135458853
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
CID 135420145

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide?
The IUPAC name of N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide (CID 175538541) is N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide?
The canonical SMILES for N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide is C=CC(=O)/N=C/c1c(C)[nH]c2ccccc12.
What is the InChIKey of N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide?
The InChIKey is AIKYUMRJIGRGGZ-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H12N2O/c1-3-13(16)14-8-11-9(2)15-12-7-5-4-6-10(11)12/h3-8,15H,1H2,2H3/b14-8+.
What are the key properties of N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide?
N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide has a molecular weight of 212.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide is sourced from PubChem (CID 175538541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).