2-methylidene-N-prop-2-enylbutanediamide

C8H12N2O2 — CID 18784432

IUPAC2-methylidene-N-prop-2-enylbutanediamide
SMILESC=CCNC(=O)C(=C)CC(N)=O
InChIInChI=1S/C8H12N2O2/c1-3-4-10-8(12)6(2)5-7(9)11/h3H,1-2,4-5H2,(H2,9,11)(H,10,12)
InChIKeyFBWACERHGNDSFZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.28
Rot. Bonds5

About 2-methylidene-N-prop-2-enylbutanediamide

2-methylidene-N-prop-2-enylbutanediamide (PubChem CID 18784432) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methylidene-N-prop-2-enylbutanediamide.

Molecular Properties

Compound Name2-methylidene-N-prop-2-enylbutanediamide
PubChem CID18784432
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-methylidene-N-prop-2-enylbutanediamide
SMILESC=CCNC(=O)C(=C)CC(N)=O
InChIInChI=1S/C8H12N2O2/c1-3-4-10-8(12)6(2)5-7(9)11/h3H,1-2,4-5H2,(H2,9,11)(H,10,12)
InChIKeyFBWACERHGNDSFZ-UHFFFAOYSA-N
XLogP-0.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methacrylamidoethyl ethylene
CID 17774237
N,N'-dimethyl-2-methylidenebutanediamide
CID 20342708
N~1~,N~4~-Di(prop-2-en-1-yl)butanediimidic acid
CID 249891
2-methylidene-N-propan-2-ylpent-4-enamide
CID 14418379
N,2-dimethylprop-2-enamide;N-ethylprop-2-enamide
CID 18984068
N,N'-diethyl-2-methylidenebutanediamide
CID 21561808
azane;N-ethyl-2-methylidenebutanamide
CID 21584922
N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide
CID 22071889
2,3-dimethylidene-N'-(2-methylpropyl)butanediamide
CID 22074337
N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide
CID 23287262
N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide
CID 23452232
N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide
CID 23452264

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-prop-2-enylbutanediamide?
The IUPAC name of 2-methylidene-N-prop-2-enylbutanediamide (CID 18784432) is 2-methylidene-N-prop-2-enylbutanediamide.
What is the SMILES notation for 2-methylidene-N-prop-2-enylbutanediamide?
The canonical SMILES for 2-methylidene-N-prop-2-enylbutanediamide is C=CCNC(=O)C(=C)CC(N)=O.
What is the InChIKey of 2-methylidene-N-prop-2-enylbutanediamide?
The InChIKey is FBWACERHGNDSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-4-10-8(12)6(2)5-7(9)11/h3H,1-2,4-5H2,(H2,9,11)(H,10,12).
What are the key properties of 2-methylidene-N-prop-2-enylbutanediamide?
2-methylidene-N-prop-2-enylbutanediamide has a molecular weight of 168.20 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-prop-2-enylbutanediamide is sourced from PubChem (CID 18784432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).