(E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide

C15H13N3O — CID 787832

IUPAC(E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide
SMILESN#C/C(=C\c1c[nH]c2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C15H13N3O/c16-8-10(15(19)18-12-5-6-12)7-11-9-17-14-4-2-1-3-13(11)14/h1-4,7,9,12,17H,5-6H2,(H,18,19)/b10-7+
InChIKeyCBSORKRACOTIJW-JXMROGBWSA-N
MW251.29 g/mol
LogP2.35
Rot. Bonds3

About (E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide

(E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide (PubChem CID 787832) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide
PubChem CID787832
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide
SMILESN#C/C(=C\c1c[nH]c2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C15H13N3O/c16-8-10(15(19)18-12-5-6-12)7-11-9-17-14-4-2-1-3-13(11)14/h1-4,7,9,12,17H,5-6H2,(H,18,19)/b10-7+
InChIKeyCBSORKRACOTIJW-JXMROGBWSA-N
XLogP2.35
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide (CID 787832) is (E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide is N#C/C(=C\c1c[nH]c2ccccc12)C(=O)NC1CC1.
What is the InChIKey of (E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide?
The InChIKey is CBSORKRACOTIJW-JXMROGBWSA-N. The full InChI is InChI=1S/C15H13N3O/c16-8-10(15(19)18-12-5-6-12)7-11-9-17-14-4-2-1-3-13(11)14/h1-4,7,9,12,17H,5-6H2,(H,18,19)/b10-7+.
What are the key properties of (E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide?
(E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide has a molecular weight of 251.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclopropyl-3-(1H-indol-3-yl)prop-2-enamide is sourced from PubChem (CID 787832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).