N,N-dimethylpent-4-enamide

C7H13NO — CID 13308678

IUPACN,N-dimethylpent-4-enamide
SMILESC=CCCC(=O)N(C)C
InChIInChI=1S/C7H13NO/c1-4-5-6-7(9)8(2)3/h4H,1,5-6H2,2-3H3
InChIKeyVBIUZQGXHXBXHR-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.04
Rot. Bonds3

About N,N-dimethylpent-4-enamide

N,N-dimethylpent-4-enamide (PubChem CID 13308678) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N,N-dimethylpent-4-enamide.

Molecular Properties

Compound NameN,N-dimethylpent-4-enamide
PubChem CID13308678
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN,N-dimethylpent-4-enamide
SMILESC=CCCC(=O)N(C)C
InChIInChI=1S/C7H13NO/c1-4-5-6-7(9)8(2)3/h4H,1,5-6H2,2-3H3
InChIKeyVBIUZQGXHXBXHR-UHFFFAOYSA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyano-N-methylpent-4-enamide
CID 126991914
(E)-N,N-dimethyloct-4-enamide
CID 13308679
2-(dimethylamino)-2-methylhept-6-en-3-one
CID 79047988
2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid
CID 103802876
N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide
CID 159955507
N-ethyl-N-(2-hydroxyethyl)pent-4-enamide
CID 62678717
[pent-4-enoyl(prop-2-enyl)amino] acetate
CID 12710058
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
(E)-N,N-dimethyldec-4-enamide
CID 13308680
N-(2-hydroxyethyl)-N-prop-2-enylpent-4-enamide
CID 115775480
N-(2-hydroxyethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 115772576
ethyl pent-4-enoate;dihydrochloride
CID 175912482

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpent-4-enamide?
The IUPAC name of N,N-dimethylpent-4-enamide (CID 13308678) is N,N-dimethylpent-4-enamide.
What is the SMILES notation for N,N-dimethylpent-4-enamide?
The canonical SMILES for N,N-dimethylpent-4-enamide is C=CCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethylpent-4-enamide?
The InChIKey is VBIUZQGXHXBXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-6-7(9)8(2)3/h4H,1,5-6H2,2-3H3.
What are the key properties of N,N-dimethylpent-4-enamide?
N,N-dimethylpent-4-enamide has a molecular weight of 127.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpent-4-enamide is sourced from PubChem (CID 13308678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).