2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide

C9H13N3O2 — CID 154307260

IUPAC2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide
SMILES[H]N=C(NC(=O)C(=C)C)NC(=O)C(=C)C
InChIInChI=1S/C9H13N3O2/c1-5(2)7(13)11-9(10)12-8(14)6(3)4/h1,3H2,2,4H3,(H3,10,11,12,13,14)
InChIKeyDISREUGLXCAKEN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.31
Rot. Bonds2

About 2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide

2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide (PubChem CID 154307260) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide
PubChem CID154307260
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide
SMILES[H]N=C(NC(=O)C(=C)C)NC(=O)C(=C)C
InChIInChI=1S/C9H13N3O2/c1-5(2)7(13)11-9(10)12-8(14)6(3)4/h1,3H2,2,4H3,(H3,10,11,12,13,14)
InChIKeyDISREUGLXCAKEN-UHFFFAOYSA-N
XLogP0.31
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
N-(1-hydroxyethenyl)-2-methylprop-2-enamide
CID 174577557
N-ethanethioyl-2-methylprop-2-enamide
CID 89169552
2,3-dimethyl-N-(2-methylprop-2-enoyl)but-2-enamide
CID 175801770
N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide
CID 20633703
(E)-3-(2-methylprop-2-enoylamino)but-2-enoic acid
CID 88902776
bis(2-methylprop-2-enoylamino) carbonate
CID 174523368
N,2-dimethylprop-2-enamide;ethane
CID 142291054
3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 174962004
N-(2-methylprop-2-enoyl)heptadecanamide
CID 91422335
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoylcarbamoyloxymethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl N-(2-methylprop-2-enoyl)carbamate
CID 118477482
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide
CID 144714504

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide (CID 154307260) is 2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide is [H]N=C(NC(=O)C(=C)C)NC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide?
The InChIKey is DISREUGLXCAKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(2)7(13)11-9(10)12-8(14)6(3)4/h1,3H2,2,4H3,(H3,10,11,12,13,14).
What are the key properties of 2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide?
2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide has a molecular weight of 195.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide is sourced from PubChem (CID 154307260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).