2-cyano-N,N-dimethylpent-2-enamide

C8H12N2O — CID 123784401

IUPAC2-cyano-N,N-dimethylpent-2-enamide
SMILESCCC=C(C#N)C(=O)N(C)C
InChIInChI=1S/C8H12N2O/c1-4-5-7(6-9)8(11)10(2)3/h5H,4H2,1-3H3
InChIKeyOCSFAVVVMQQHAQ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.93
Rot. Bonds2

About 2-cyano-N,N-dimethylpent-2-enamide

2-cyano-N,N-dimethylpent-2-enamide (PubChem CID 123784401) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-cyano-N,N-dimethylpent-2-enamide.

Molecular Properties

Compound Name2-cyano-N,N-dimethylpent-2-enamide
PubChem CID123784401
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-cyano-N,N-dimethylpent-2-enamide
SMILESCCC=C(C#N)C(=O)N(C)C
InChIInChI=1S/C8H12N2O/c1-4-5-7(6-9)8(11)10(2)3/h5H,4H2,1-3H3
InChIKeyOCSFAVVVMQQHAQ-UHFFFAOYSA-N
XLogP0.93
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
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 2-cyano-N,N-dimethylpent-2-enamide?
The IUPAC name of 2-cyano-N,N-dimethylpent-2-enamide (CID 123784401) is 2-cyano-N,N-dimethylpent-2-enamide.
What is the SMILES notation for 2-cyano-N,N-dimethylpent-2-enamide?
The canonical SMILES for 2-cyano-N,N-dimethylpent-2-enamide is CCC=C(C#N)C(=O)N(C)C.
What is the InChIKey of 2-cyano-N,N-dimethylpent-2-enamide?
The InChIKey is OCSFAVVVMQQHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-5-7(6-9)8(11)10(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-cyano-N,N-dimethylpent-2-enamide?
2-cyano-N,N-dimethylpent-2-enamide has a molecular weight of 152.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-dimethylpent-2-enamide is sourced from PubChem (CID 123784401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).