N-(4-methyl-3-oxopent-4-enyl)acetamide

C8H13NO2 — CID 20767189

IUPACN-(4-methyl-3-oxopent-4-enyl)acetamide
SMILESC=C(C)C(=O)CCNC(C)=O
InChIInChI=1S/C8H13NO2/c1-6(2)8(11)4-5-9-7(3)10/h1,4-5H2,2-3H3,(H,9,10)
InChIKeyFXFVTSLCPKMPPR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.66
Rot. Bonds4

About N-(4-methyl-3-oxopent-4-enyl)acetamide

N-(4-methyl-3-oxopent-4-enyl)acetamide (PubChem CID 20767189) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(4-methyl-3-oxopent-4-enyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxopent-4-enyl)acetamide
PubChem CID20767189
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(4-methyl-3-oxopent-4-enyl)acetamide
SMILESC=C(C)C(=O)CCNC(C)=O
InChIInChI=1S/C8H13NO2/c1-6(2)8(11)4-5-9-7(3)10/h1,4-5H2,2-3H3,(H,9,10)
InChIKeyFXFVTSLCPKMPPR-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpent-4-en-1-yl)prop-2-enamide
CID 129873430
1-Methyl-3-(4-methyl-3-oxopent-4-enyl)urea
CID 19736139
2-methyl-N-(4-oxopentan-2-yl)prop-2-enamide
CID 21556848
5-(Ethylamino)-2-methylpent-1-en-3-one
CID 22082149
(4-Methyl-3-oxopent-4-enyl)urea
CID 22406173
2-methyl-N-(3-oxopent-4-enyl)prop-2-enamide
CID 22641181
N-(4-methyl-3-oxopent-4-enyl)prop-2-enamide
CID 53656436
2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide
CID 54327859
(4-Methyl-3-oxopent-4-enyl)carbamic acid
CID 57236644
methyl N-(4-methyl-3-oxopent-4-enyl)carbamate
CID 58049547
2-methyl-N-(7-methyl-6-oxooct-7-enyl)propanamide
CID 58298938
2-methyl-N-(5-methyl-4-oxohex-5-enyl)propanamide
CID 58298957

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxopent-4-enyl)acetamide?
The IUPAC name of N-(4-methyl-3-oxopent-4-enyl)acetamide (CID 20767189) is N-(4-methyl-3-oxopent-4-enyl)acetamide.
What is the SMILES notation for N-(4-methyl-3-oxopent-4-enyl)acetamide?
The canonical SMILES for N-(4-methyl-3-oxopent-4-enyl)acetamide is C=C(C)C(=O)CCNC(C)=O.
What is the InChIKey of N-(4-methyl-3-oxopent-4-enyl)acetamide?
The InChIKey is FXFVTSLCPKMPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)8(11)4-5-9-7(3)10/h1,4-5H2,2-3H3,(H,9,10).
What are the key properties of N-(4-methyl-3-oxopent-4-enyl)acetamide?
N-(4-methyl-3-oxopent-4-enyl)acetamide has a molecular weight of 155.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxopent-4-enyl)acetamide is sourced from PubChem (CID 20767189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).