ethane;N-prop-2-enylprop-2-enamide

C8H15NO — CID 142535548

IUPACethane;N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C=C.CC
InChIInChI=1S/C6H9NO.C2H6/c1-3-5-7-6(8)4-2;1-2/h3-4H,1-2,5H2,(H,7,8);1-2H3
InChIKeyGZWYUYZEMCYMBH-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.50
Rot. Bonds3

About ethane;N-prop-2-enylprop-2-enamide

ethane;N-prop-2-enylprop-2-enamide (PubChem CID 142535548) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethane;N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Nameethane;N-prop-2-enylprop-2-enamide
PubChem CID142535548
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethane;N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C=C.CC
InChIInChI=1S/C6H9NO.C2H6/c1-3-5-7-6(8)4-2;1-2/h3-4H,1-2,5H2,(H,7,8);1-2H3
InChIKeyGZWYUYZEMCYMBH-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

ethenol;N-prop-2-enylprop-2-enamide
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N-[(E)-pent-2-enyl]prop-2-enamide
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N-cyclohexylprop-2-enamide;N-prop-2-enylprop-2-enamide
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2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
CID 144591761
(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
CID 12943287
CID 173161904
CID 173161904
methanethiol;prop-2-enylcarbamic acid
CID 175464551
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
prop-2-enylcarbamic acid;hydrate
CID 173458484
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-(sulfanylmethyl)prop-2-enamide
CID 21197466

Frequently Asked Questions

What is the IUPAC name of ethane;N-prop-2-enylprop-2-enamide?
The IUPAC name of ethane;N-prop-2-enylprop-2-enamide (CID 142535548) is ethane;N-prop-2-enylprop-2-enamide.
What is the SMILES notation for ethane;N-prop-2-enylprop-2-enamide?
The canonical SMILES for ethane;N-prop-2-enylprop-2-enamide is C=CCNC(=O)C=C.CC.
What is the InChIKey of ethane;N-prop-2-enylprop-2-enamide?
The InChIKey is GZWYUYZEMCYMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C2H6/c1-3-5-7-6(8)4-2;1-2/h3-4H,1-2,5H2,(H,7,8);1-2H3.
What are the key properties of ethane;N-prop-2-enylprop-2-enamide?
ethane;N-prop-2-enylprop-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 142535548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).