N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide

C7H11N3O — CID 54162718

IUPACN-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide
SMILESCN(C)C=C(C#N)CNC=O
InChIInChI=1S/C7H11N3O/c1-10(2)5-7(3-8)4-9-6-11/h5-6H,4H2,1-2H3,(H,9,11)
InChIKeyOPOCMHRECIJUCA-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.30
Rot. Bonds4

About N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide

N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide (PubChem CID 54162718) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide.

Molecular Properties

Compound NameN-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide
PubChem CID54162718
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide
SMILESCN(C)C=C(C#N)CNC=O
InChIInChI=1S/C7H11N3O/c1-10(2)5-7(3-8)4-9-6-11/h5-6H,4H2,1-2H3,(H,9,11)
InChIKeyOPOCMHRECIJUCA-UHFFFAOYSA-N
XLogP-0.30
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide?
The IUPAC name of N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide (CID 54162718) is N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide.
What is the SMILES notation for N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide?
The canonical SMILES for N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide is CN(C)C=C(C#N)CNC=O.
What is the InChIKey of N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide?
The InChIKey is OPOCMHRECIJUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10(2)5-7(3-8)4-9-6-11/h5-6H,4H2,1-2H3,(H,9,11).
What are the key properties of N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide?
N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide has a molecular weight of 153.18 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-3-(dimethylamino)prop-2-enyl]formamide is sourced from PubChem (CID 54162718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).