molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene

C10H19NO2 — CID 143781918

IUPACmolecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene
SMILESC=CC.C=CC(=O)NCCC(C)=O.[H][H]
InChIInChI=1S/C7H11NO2.C3H6.H2/c1-3-7(10)8-5-4-6(2)9;1-3-2;/h3H,1,4-5H2,2H3,(H,8,10);3H,1H2,2H3;1H
InChIKeyLIEBUOSHSFRSFE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.71
Rot. Bonds4

About molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene

molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene (PubChem CID 143781918) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene.

Molecular Properties

Compound Namemolecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene
PubChem CID143781918
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemolecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene
SMILESC=CC.C=CC(=O)NCCC(C)=O.[H][H]
InChIInChI=1S/C7H11NO2.C3H6.H2/c1-3-7(10)8-5-4-6(2)9;1-3-2;/h3H,1,4-5H2,2H3,(H,8,10);3H,1H2,2H3;1H
InChIKeyLIEBUOSHSFRSFE-UHFFFAOYSA-N
XLogP1.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;N-propylprop-2-enamide
CID 153372503
3-(prop-2-enoylamino)propanoyl iodide
CID 178000276
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
N-butylprop-2-enamide;hydrofluoride
CID 174533496
4-(prop-2-enoylamino)butanamide
CID 60864661
CID 131887558
CID 131887558
N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide
CID 141139350
acetic acid;N-(3-aminopropyl)prop-2-enamide
CID 173132431

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene?
The IUPAC name of molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene (CID 143781918) is molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene.
What is the SMILES notation for molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene?
The canonical SMILES for molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene is C=CC.C=CC(=O)NCCC(C)=O.[H][H].
What is the InChIKey of molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene?
The InChIKey is LIEBUOSHSFRSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C3H6.H2/c1-3-7(10)8-5-4-6(2)9;1-3-2;/h3H,1,4-5H2,2H3,(H,8,10);3H,1H2,2H3;1H.
What are the key properties of molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene?
molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene has a molecular weight of 185.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene is sourced from PubChem (CID 143781918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).