N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide

C8H14N2O — CID 87295528

IUPACN-[1-(dimethylamino)prop-2-enyl]prop-2-enamide
SMILESC=CC(=O)NC(C=C)N(C)C
InChIInChI=1S/C8H14N2O/c1-5-7(10(3)4)9-8(11)6-2/h5-7H,1-2H2,3-4H3,(H,9,11)
InChIKeyQQFMZKOUTVVMHC-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.36
Rot. Bonds4

About N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide

N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide (PubChem CID 87295528) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)prop-2-enyl]prop-2-enamide
PubChem CID87295528
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[1-(dimethylamino)prop-2-enyl]prop-2-enamide
SMILESC=CC(=O)NC(C=C)N(C)C
InChIInChI=1S/C8H14N2O/c1-5-7(10(3)4)9-8(11)6-2/h5-7H,1-2H2,3-4H3,(H,9,11)
InChIKeyQQFMZKOUTVVMHC-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide
CID 87997510
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide
CID 144596599
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
methyl 3-(prop-2-enoylamino)butanoate
CID 139498956
1-(prop-2-enoylamino)ethanesulfonic acid
CID 18361641
N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide
CID 23505015
3-methyl-2-(prop-2-enoylamino)butanoic acid
CID 3320462
methyl-[1-(prop-2-enoylamino)ethyl]azanium chloride
CID 154611699
N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide
CID 130862795

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide?
The IUPAC name of N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide (CID 87295528) is N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide.
What is the SMILES notation for N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide?
The canonical SMILES for N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide is C=CC(=O)NC(C=C)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide?
The InChIKey is QQFMZKOUTVVMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-7(10(3)4)9-8(11)6-2/h5-7H,1-2H2,3-4H3,(H,9,11).
What are the key properties of N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide?
N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide is sourced from PubChem (CID 87295528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).