3-hydroxyhept-2-enamide

C7H13NO2 — CID 148738032

IUPAC3-hydroxyhept-2-enamide
SMILESCCCCC(O)=CC(N)=O
InChIInChI=1S/C7H13NO2/c1-2-3-4-6(9)5-7(8)10/h5,9H,2-4H2,1H3,(H2,8,10)
InChIKeyWRMYONGQZHXOOT-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.10
Rot. Bonds4

About 3-hydroxyhept-2-enamide

3-hydroxyhept-2-enamide (PubChem CID 148738032) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-hydroxyhept-2-enamide.

Molecular Properties

Compound Name3-hydroxyhept-2-enamide
PubChem CID148738032
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-hydroxyhept-2-enamide
SMILESCCCCC(O)=CC(N)=O
InChIInChI=1S/C7H13NO2/c1-2-3-4-6(9)5-7(8)10/h5,9H,2-4H2,1H3,(H2,8,10)
InChIKeyWRMYONGQZHXOOT-UHFFFAOYSA-N
XLogP1.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-11-hydroxynonadec-10-en-9-one
CID 58983053
(Z)-7-hydroxyhexacos-7-en-9-one
CID 122377980
3-methylpentadec-2-enamide
CID 174903366
2-octadecylbut-2-enediamide
CID 73412414
(Z)-2-tetradecylbut-2-enediamide
CID 174956271
pentanoic acid;urea;hydrochloride
CID 174794672
methyl 3-hydroxyoct-2-enoate
CID 139933241
acetamide;pentanamide
CID 158041283
(Z)-11-hydroxy-9-oxodocos-10-enoic acid
CID 10044557
(Z)-3-hydroxyhex-2-enoic acid
CID 54724955
pentane;prop-2-enamide
CID 139391622
acetamide;pentanamide;dihydrochloride
CID 141201232

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyhept-2-enamide?
The IUPAC name of 3-hydroxyhept-2-enamide (CID 148738032) is 3-hydroxyhept-2-enamide.
What is the SMILES notation for 3-hydroxyhept-2-enamide?
The canonical SMILES for 3-hydroxyhept-2-enamide is CCCCC(O)=CC(N)=O.
What is the InChIKey of 3-hydroxyhept-2-enamide?
The InChIKey is WRMYONGQZHXOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-4-6(9)5-7(8)10/h5,9H,2-4H2,1H3,(H2,8,10).
What are the key properties of 3-hydroxyhept-2-enamide?
3-hydroxyhept-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyhept-2-enamide is sourced from PubChem (CID 148738032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).