(E)-2-methyl-3-propylnon-7-enamide;hydrochloride

C13H26ClNO — CID 87894374

IUPAC(E)-2-methyl-3-propylnon-7-enamide;hydrochloride
SMILESC/C=C/CCCC(CCC)C(C)C(N)=O.Cl
InChIInChI=1S/C13H25NO.ClH/c1-4-6-7-8-10-12(9-5-2)11(3)13(14)15;/h4,6,11-12H,5,7-10H2,1-3H3,(H2,14,15);1H/b6-4+;
InChIKeyDPMAAWOUPLPEJE-CVDVRWGVSA-N
MW247.81 g/mol
LogP3.69
Rot. Bonds8

About (E)-2-methyl-3-propylnon-7-enamide;hydrochloride

(E)-2-methyl-3-propylnon-7-enamide;hydrochloride (PubChem CID 87894374) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is (E)-2-methyl-3-propylnon-7-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-2-methyl-3-propylnon-7-enamide;hydrochloride
PubChem CID87894374
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name(E)-2-methyl-3-propylnon-7-enamide;hydrochloride
SMILESC/C=C/CCCC(CCC)C(C)C(N)=O.Cl
InChIInChI=1S/C13H25NO.ClH/c1-4-6-7-8-10-12(9-5-2)11(3)13(14)15;/h4,6,11-12H,5,7-10H2,1-3H3,(H2,14,15);1H/b6-4+;
InChIKeyDPMAAWOUPLPEJE-CVDVRWGVSA-N
XLogP3.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylnon-7-enamide
CID 142782091
dec-8-en-4-ol
CID 56606618
(E)-dec-8-en-4-ol
CID 19937281
(E)-hept-5-enamide
CID 18415105
2-methyl-3-oxodec-8-enamide
CID 172994116
[(Z)-2-ethyloct-6-enoyl] (Z)-2-propylhept-5-enoate
CID 175339992
5-ethyldodec-10-en-6-ol
CID 173315974
carbamic acid;(E)-hex-2-ene
CID 174912639
2,3-dimethylhexanamide
CID 55291364
ethyl (Z)-2-methylhept-5-enoate
CID 88926981
methyl 2-methyl-3-propylheptanoate
CID 123579979
(E)-2-methoxyundec-6-enamide
CID 143582513

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-propylnon-7-enamide;hydrochloride?
The IUPAC name of (E)-2-methyl-3-propylnon-7-enamide;hydrochloride (CID 87894374) is (E)-2-methyl-3-propylnon-7-enamide;hydrochloride.
What is the SMILES notation for (E)-2-methyl-3-propylnon-7-enamide;hydrochloride?
The canonical SMILES for (E)-2-methyl-3-propylnon-7-enamide;hydrochloride is C/C=C/CCCC(CCC)C(C)C(N)=O.Cl.
What is the InChIKey of (E)-2-methyl-3-propylnon-7-enamide;hydrochloride?
The InChIKey is DPMAAWOUPLPEJE-CVDVRWGVSA-N. The full InChI is InChI=1S/C13H25NO.ClH/c1-4-6-7-8-10-12(9-5-2)11(3)13(14)15;/h4,6,11-12H,5,7-10H2,1-3H3,(H2,14,15);1H/b6-4+;.
What are the key properties of (E)-2-methyl-3-propylnon-7-enamide;hydrochloride?
(E)-2-methyl-3-propylnon-7-enamide;hydrochloride has a molecular weight of 247.81 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-propylnon-7-enamide;hydrochloride is sourced from PubChem (CID 87894374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).