(E)-3-(2-cyanophenyl)prop-2-enamide

C10H8N2O — CID 14245969

IUPAC(E)-3-(2-cyanophenyl)prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(N)=O
InChIInChI=1S/C10H8N2O/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-6H,(H2,12,13)/b6-5+
InChIKeyDCHNUSCMTCXDSJ-AATRIKPKSA-N
MW172.19 g/mol
LogP1.06
Rot. Bonds2

About (E)-3-(2-cyanophenyl)prop-2-enamide

(E)-3-(2-cyanophenyl)prop-2-enamide (PubChem CID 14245969) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is (E)-3-(2-cyanophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-cyanophenyl)prop-2-enamide
PubChem CID14245969
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name(E)-3-(2-cyanophenyl)prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(N)=O
InChIInChI=1S/C10H8N2O/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-6H,(H2,12,13)/b6-5+
InChIKeyDCHNUSCMTCXDSJ-AATRIKPKSA-N
XLogP1.06
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-3-(2-cyanophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-cyanophenyl)prop-2-enamide (CID 14245969) is (E)-3-(2-cyanophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-cyanophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-cyanophenyl)prop-2-enamide is N#Cc1ccccc1/C=C/C(N)=O.
What is the InChIKey of (E)-3-(2-cyanophenyl)prop-2-enamide?
The InChIKey is DCHNUSCMTCXDSJ-AATRIKPKSA-N. The full InChI is InChI=1S/C10H8N2O/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-6H,(H2,12,13)/b6-5+.
What are the key properties of (E)-3-(2-cyanophenyl)prop-2-enamide?
(E)-3-(2-cyanophenyl)prop-2-enamide has a molecular weight of 172.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyanophenyl)prop-2-enamide is sourced from PubChem (CID 14245969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).