N-prop-2-enylbutanamide

C7H13NO — CID 4257022

IUPACN-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC
InChIInChI=1S/C7H13NO/c1-3-5-7(9)8-6-4-2/h4H,2-3,5-6H2,1H3,(H,8,9)
InChIKeyKTJYOKLCBAFHDD-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds4

About N-prop-2-enylbutanamide

N-prop-2-enylbutanamide (PubChem CID 4257022) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-prop-2-enylbutanamide.

Molecular Properties

Compound NameN-prop-2-enylbutanamide
PubChem CID4257022
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC
InChIInChI=1S/C7H13NO/c1-3-5-7(9)8-6-4-2/h4H,2-3,5-6H2,1H3,(H,8,9)
InChIKeyKTJYOKLCBAFHDD-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Allylacetamide
CID 69653
n-Butyl-2-propenamide
CID 642908
Heptafluorobutyramide, N-allyl
CID 534980
N-(n-Propyl) acrylamide
CID 114794
Butyramide, N-(2-bromoallyl)-
CID 57964
N-Allylmethacrylamide
CID 75139
3-Oxo-N-2-propen-1-ylbutanamide
CID 537215
Pivalamide, N-allyl-
CID 4172620
N-prop-2-enylpropanamide
CID 5053902
N-pent-4-enylacetamide
CID 12444169
N-(Prop-2-en-1-yl)pent-4-enamide
CID 13128362
2-methyl-N-prop-2-enylpropanamide
CID 4070749

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylbutanamide?
The IUPAC name of N-prop-2-enylbutanamide (CID 4257022) is N-prop-2-enylbutanamide.
What is the SMILES notation for N-prop-2-enylbutanamide?
The canonical SMILES for N-prop-2-enylbutanamide is C=CCNC(=O)CCC.
What is the InChIKey of N-prop-2-enylbutanamide?
The InChIKey is KTJYOKLCBAFHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-5-7(9)8-6-4-2/h4H,2-3,5-6H2,1H3,(H,8,9).
What are the key properties of N-prop-2-enylbutanamide?
N-prop-2-enylbutanamide has a molecular weight of 127.19 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylbutanamide is sourced from PubChem (CID 4257022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).