N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide

C9H16N2O2 — CID 59881781

IUPACN-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide
SMILESCN/C=C\C(C)N(C)C(=O)C(C)=O
InChIInChI=1S/C9H16N2O2/c1-7(5-6-10-3)11(4)9(13)8(2)12/h5-7,10H,1-4H3/b6-5-
InChIKeyJNPMHLMVLYXOJN-WAYWQWQTSA-N
MW184.24 g/mol
LogP0.16
Rot. Bonds4

About N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide

N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide (PubChem CID 59881781) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide.

Molecular Properties

Compound NameN-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide
PubChem CID59881781
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide
SMILESCN/C=C\C(C)N(C)C(=O)C(C)=O
InChIInChI=1S/C9H16N2O2/c1-7(5-6-10-3)11(4)9(13)8(2)12/h5-7,10H,1-4H3/b6-5-
InChIKeyJNPMHLMVLYXOJN-WAYWQWQTSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine
CID 88986996
N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide
CID 125476538
1-N,1-N',3-N-trimethylprop-2-ene-1,1,3-triamine
CID 174631925
N-[(E)-3-methylbut-1-enyl]acetamide
CID 12626390
N-methyl-N-(2-methylpropyl)-2-oxopropanamide
CID 115175418
(E)-2,5-dimethylhex-3-enedioic acid
CID 22630170
2,5-dimethylhex-3-enoic acid
CID 86132699
N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide
CID 170184127
S-methyl N-[methyl-[1-[methyl-(methylsulfanylcarbonylamino)amino]ethyl]amino]carbamothioate
CID 137417319
(E)-4-[methyl(propan-2-yl)amino]pent-2-enoic acid
CID 87178682
2-[methyl(propan-2-yl)amino]prop-2-enoic acid
CID 174803803
(2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine
CID 135231461

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide?
The IUPAC name of N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide (CID 59881781) is N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide.
What is the SMILES notation for N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide?
The canonical SMILES for N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide is CN/C=C\C(C)N(C)C(=O)C(C)=O.
What is the InChIKey of N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide?
The InChIKey is JNPMHLMVLYXOJN-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(5-6-10-3)11(4)9(13)8(2)12/h5-7,10H,1-4H3/b6-5-.
What are the key properties of N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide?
N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide has a molecular weight of 184.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-4-(methylamino)but-3-en-2-yl]-2-oxopropanamide is sourced from PubChem (CID 59881781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).