N-ethenyl-2-methylidenebutanamide

C7H11NO — CID 151420666

IUPACN-ethenyl-2-methylidenebutanamide
SMILESC=CNC(=O)C(=C)CC
InChIInChI=1S/C7H11NO/c1-4-6(3)7(9)8-5-2/h5H,2-4H2,1H3,(H,8,9)
InChIKeyPALVOBVUQPAMKM-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.21
Rot. Bonds3

About N-ethenyl-2-methylidenebutanamide

N-ethenyl-2-methylidenebutanamide (PubChem CID 151420666) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-ethenyl-2-methylidenebutanamide.

Molecular Properties

Compound NameN-ethenyl-2-methylidenebutanamide
PubChem CID151420666
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-ethenyl-2-methylidenebutanamide
SMILESC=CNC(=O)C(=C)CC
InChIInChI=1S/C7H11NO/c1-4-6(3)7(9)8-5-2/h5H,2-4H2,1H3,(H,8,9)
InChIKeyPALVOBVUQPAMKM-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-methylidenebutanamide
CID 87507056
prop-2-enyl 2-methylidenebutanoate
CID 12684713
hydron;methyl 2-methylidenebutanoate
CID 174760127
chloromethane;methylamino 2-methylidenebutanoate
CID 159451589
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
potassium 2-methylidenebutanoate
CID 87611079
N-butoxy-2-methylidenebutanamide
CID 151866708
methyl 2-hydroxy-2-(2-methylidenebutanoylamino)acetate
CID 18619913
2-methylidenebutanamide;prop-2-en-1-amine;hydrochloride
CID 175534488
N-ethenyldodecanamide
CID 21219286
N,N-bis[(ethenylamino)methyl]propanamide
CID 58852926
deuteriomethyl 2-methylidenebutanoate
CID 174392551

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methylidenebutanamide?
The IUPAC name of N-ethenyl-2-methylidenebutanamide (CID 151420666) is N-ethenyl-2-methylidenebutanamide.
What is the SMILES notation for N-ethenyl-2-methylidenebutanamide?
The canonical SMILES for N-ethenyl-2-methylidenebutanamide is C=CNC(=O)C(=C)CC.
What is the InChIKey of N-ethenyl-2-methylidenebutanamide?
The InChIKey is PALVOBVUQPAMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-6(3)7(9)8-5-2/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of N-ethenyl-2-methylidenebutanamide?
N-ethenyl-2-methylidenebutanamide has a molecular weight of 125.17 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methylidenebutanamide is sourced from PubChem (CID 151420666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).