(E)-N,N-dimethylpent-2-enamide;ethane

C9H19NO — CID 162375612

IUPAC(E)-N,N-dimethylpent-2-enamide;ethane
SMILESCC.CC/C=C/C(=O)N(C)C
InChIInChI=1S/C7H13NO.C2H6/c1-4-5-6-7(9)8(2)3;1-2/h5-6H,4H2,1-3H3;1-2H3/b6-5+;
InChIKeyFLDCDDUVYOJPNV-IPZCTEOASA-N
MW157.26 g/mol
LogP2.07
Rot. Bonds2

About (E)-N,N-dimethylpent-2-enamide;ethane

(E)-N,N-dimethylpent-2-enamide;ethane (PubChem CID 162375612) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (E)-N,N-dimethylpent-2-enamide;ethane.

Molecular Properties

Compound Name(E)-N,N-dimethylpent-2-enamide;ethane
PubChem CID162375612
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(E)-N,N-dimethylpent-2-enamide;ethane
SMILESCC.CC/C=C/C(=O)N(C)C
InChIInChI=1S/C7H13NO.C2H6/c1-4-5-6-7(9)8(2)3;1-2/h5-6H,4H2,1-3H3;1-2H3/b6-5+;
InChIKeyFLDCDDUVYOJPNV-IPZCTEOASA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide
CID 44570055
N,N-dimethylpentadec-2-enamide
CID 123899063
5-fluoro-N,N-dimethylpent-2-enamide
CID 141430531
(E)-N,N-dimethyl-4-(propylamino)but-2-enamide
CID 156709508
(E)-N,N-dimethylpent-2-enethioamide
CID 13403804
(E)-N,N,6,6-tetramethylhept-2-enamide
CID 176757797
N,N-dibutylpent-2-enamide
CID 154390041
(E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide
CID 134295928
(E)-pent-2-enoic acid
CID 638122
(E)-N,N-dimethyl-4-propan-2-ylsulfonylbut-2-enamide
CID 176862470
N,N-dimethyl-7-oxohepta-2,4-dienamide
CID 137379587
pent-2-enoic acid;hydrochloride
CID 156883966

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethylpent-2-enamide;ethane?
The IUPAC name of (E)-N,N-dimethylpent-2-enamide;ethane (CID 162375612) is (E)-N,N-dimethylpent-2-enamide;ethane.
What is the SMILES notation for (E)-N,N-dimethylpent-2-enamide;ethane?
The canonical SMILES for (E)-N,N-dimethylpent-2-enamide;ethane is CC.CC/C=C/C(=O)N(C)C.
What is the InChIKey of (E)-N,N-dimethylpent-2-enamide;ethane?
The InChIKey is FLDCDDUVYOJPNV-IPZCTEOASA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-4-5-6-7(9)8(2)3;1-2/h5-6H,4H2,1-3H3;1-2H3/b6-5+;.
What are the key properties of (E)-N,N-dimethylpent-2-enamide;ethane?
(E)-N,N-dimethylpent-2-enamide;ethane has a molecular weight of 157.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethylpent-2-enamide;ethane is sourced from PubChem (CID 162375612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).