prop-2-enamide;N-prop-2-enylprop-2-en-1-amine

C9H16N2O — CID 87123896

IUPACprop-2-enamide;N-prop-2-enylprop-2-en-1-amine
SMILESC=CC(N)=O.C=CCNCC=C
InChIInChI=1S/C6H11N.C3H5NO/c1-3-5-7-6-4-2;1-2-3(4)5/h3-4,7H,1-2,5-6H2;2H,1H2,(H2,4,5)
InChIKeyLLHJBSHEUXXQOJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.61
Rot. Bonds5

About prop-2-enamide;N-prop-2-enylprop-2-en-1-amine

prop-2-enamide;N-prop-2-enylprop-2-en-1-amine (PubChem CID 87123896) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is prop-2-enamide;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Nameprop-2-enamide;N-prop-2-enylprop-2-en-1-amine
PubChem CID87123896
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameprop-2-enamide;N-prop-2-enylprop-2-en-1-amine
SMILESC=CC(N)=O.C=CCNCC=C
InChIInChI=1S/C6H11N.C3H5NO/c1-3-5-7-6-4-2;1-2-3(4)5/h3-4,7H,1-2,5-6H2;2H,1H2,(H2,4,5)
InChIKeyLLHJBSHEUXXQOJ-UHFFFAOYSA-N
XLogP0.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Allylacrylamide
CID 95149
N,N-Dimethyl-N-(prop-2-en-1-yl)prop-2-en-1-aminium prop-2-enimidate--hydrogen chloride (1/1/1)
CID 168563
2-Propenamide, polymer with N-methyl-N-2-propen-1-yl-2-propen-1-amine hydrochloride
CID 6455829
prop-2-enamide;N-prop-2-enylprop-2-en-1-amine;hydrochloride
CID 87123978
N,N'-(Butane-1,4-diyl)diacrylamide
CID 11542941
Dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide
CID 23514292
N-propan-2-ylprop-2-enamide;prop-1-ene
CID 157180782
prop-2-enamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 157733015
N-propan-2-ylprop-2-enamide;prop-2-en-1-amine
CID 174516736
But-2-enedioic acid bis-allylamide
CID 6026599
Bis(prop-2-enyl)azanium;prop-2-enamide;chloride
CID 22912602
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;prop-2-enamide
CID 170851960

Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of prop-2-enamide;N-prop-2-enylprop-2-en-1-amine (CID 87123896) is prop-2-enamide;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for prop-2-enamide;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for prop-2-enamide;N-prop-2-enylprop-2-en-1-amine is C=CC(N)=O.C=CCNCC=C.
What is the InChIKey of prop-2-enamide;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is LLHJBSHEUXXQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C3H5NO/c1-3-5-7-6-4-2;1-2-3(4)5/h3-4,7H,1-2,5-6H2;2H,1H2,(H2,4,5).
What are the key properties of prop-2-enamide;N-prop-2-enylprop-2-en-1-amine?
prop-2-enamide;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 168.24 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 87123896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).