2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide

C8H12N2O3 — CID 89118001

IUPAC2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide
SMILESC=CC(=O)N(C=O)C(C)C(=O)NC
InChIInChI=1S/C8H12N2O3/c1-4-7(12)10(5-11)6(2)8(13)9-3/h4-6H,1H2,2-3H3,(H,9,13)
InChIKeySPHFRYTZIGKYBZ-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.71
Rot. Bonds4

About 2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide

2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide (PubChem CID 89118001) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide
PubChem CID89118001
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide
SMILESC=CC(=O)N(C=O)C(C)C(=O)NC
InChIInChI=1S/C8H12N2O3/c1-4-7(12)10(5-11)6(2)8(13)9-3/h4-6H,1H2,2-3H3,(H,9,13)
InChIKeySPHFRYTZIGKYBZ-UHFFFAOYSA-N
XLogP-0.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-propylenebisacrylamide
CID 14877244
N-(2-propionamidoethyl)acrylamide
CID 20653723
2-Dimethylaminopropyl acrylamide
CID 21707846
N-acryloyl alaninamide
CID 22811246
N-(2-(diethylamino)ethyl)-N-(3-(isopropylamino)-3-oxopropyl)-acrylamide
CID 139592629
N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide
CID 154793372
Trimethyl-[2-(prop-2-enoylamino)propyl]azanium
CID 9877497
N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 19970966
2-amino-N-prop-2-enoylpropanamide
CID 20334693
N-[2-[ethyl(methyl)amino]propyl]prop-2-enamide
CID 21149456
(2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide
CID 21308395
N-[2-(diethylamino)propyl]prop-2-enamide
CID 21707857

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide (CID 89118001) is 2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide is C=CC(=O)N(C=O)C(C)C(=O)NC.
What is the InChIKey of 2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide?
The InChIKey is SPHFRYTZIGKYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4-7(12)10(5-11)6(2)8(13)9-3/h4-6H,1H2,2-3H3,(H,9,13).
What are the key properties of 2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide?
2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide has a molecular weight of 184.19 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(prop-2-enoyl)amino]-N-methylpropanamide is sourced from PubChem (CID 89118001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).