N'-prop-2-enylbutanediamide

C7H12N2O2 — CID 39248194

IUPACN'-prop-2-enylbutanediamide
SMILESC=CCNC(=O)CCC(N)=O
InChIInChI=1S/C7H12N2O2/c1-2-5-9-7(11)4-3-6(8)10/h2H,1,3-5H2,(H2,8,10)(H,9,11)
InChIKeyFGNVEGDEPDNSHI-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.45
Rot. Bonds5

About N'-prop-2-enylbutanediamide

N'-prop-2-enylbutanediamide (PubChem CID 39248194) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N'-prop-2-enylbutanediamide.

Molecular Properties

Compound NameN'-prop-2-enylbutanediamide
PubChem CID39248194
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN'-prop-2-enylbutanediamide
SMILESC=CCNC(=O)CCC(N)=O
InChIInChI=1S/C7H12N2O2/c1-2-5-9-7(11)4-3-6(8)10/h2H,1,3-5H2,(H2,8,10)(H,9,11)
InChIKeyFGNVEGDEPDNSHI-UHFFFAOYSA-N
XLogP-0.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-allyl butyramide
CID 4257022
N-[(E)-but-2-enyl]butanamide
CID 11829551
2,2,3,3-tetrafluoro-N,N'-bis(prop-2-enyl)butanediamide
CID 4388299
2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide
CID 158114198
N~1~,N~4~-Di(prop-2-en-1-yl)butanediimidic acid
CID 249891
N'-prop-2-enylpropanediamide
CID 14686249
2,2-dichloro-N'-prop-2-enylbutanediamide
CID 17861893
(2S)-2-amino-N-prop-2-enylbutanediamide
CID 18665391
2-methylidene-N-prop-2-enylbutanediamide
CID 18784432
N,N'-dihydroxy-N'-prop-2-enylbutanediamide
CID 21514327
3-amino-N-prop-2-enylpropanamide
CID 22692022
Prop-2-enamide;pyrrolidin-2-one
CID 23358591

Frequently Asked Questions

What is the IUPAC name of N'-prop-2-enylbutanediamide?
The IUPAC name of N'-prop-2-enylbutanediamide (CID 39248194) is N'-prop-2-enylbutanediamide.
What is the SMILES notation for N'-prop-2-enylbutanediamide?
The canonical SMILES for N'-prop-2-enylbutanediamide is C=CCNC(=O)CCC(N)=O.
What is the InChIKey of N'-prop-2-enylbutanediamide?
The InChIKey is FGNVEGDEPDNSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-5-9-7(11)4-3-6(8)10/h2H,1,3-5H2,(H2,8,10)(H,9,11).
What are the key properties of N'-prop-2-enylbutanediamide?
N'-prop-2-enylbutanediamide has a molecular weight of 156.19 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-enylbutanediamide is sourced from PubChem (CID 39248194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).