(Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide

C12H12N4O2 — CID 155412139

IUPAC(Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide
SMILESN/C=C\C(=O)NC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C12H12N4O2/c13-5-3-11(17)16-12(18)15-9-2-1-8-4-6-14-10(8)7-9/h1-7,14H,13H2,(H2,15,16,17,18)/b5-3-
InChIKeyMFBNIECCICZVNT-HYXAFXHYSA-N
MW244.25 g/mol
LogP1.29
Rot. Bonds2

About (Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide

(Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide (PubChem CID 155412139) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is (Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide
PubChem CID155412139
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name(Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide
SMILESN/C=C\C(=O)NC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C12H12N4O2/c13-5-3-11(17)16-12(18)15-9-2-1-8-4-6-14-10(8)7-9/h1-7,14H,13H2,(H2,15,16,17,18)/b5-3-
InChIKeyMFBNIECCICZVNT-HYXAFXHYSA-N
XLogP1.29
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide?
The IUPAC name of (Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide (CID 155412139) is (Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide?
The canonical SMILES for (Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide is N/C=C\C(=O)NC(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of (Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide?
The InChIKey is MFBNIECCICZVNT-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-5-3-11(17)16-12(18)15-9-2-1-8-4-6-14-10(8)7-9/h1-7,14H,13H2,(H2,15,16,17,18)/b5-3-.
What are the key properties of (Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide?
(Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide has a molecular weight of 244.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide is sourced from PubChem (CID 155412139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).