(7R)-1-methyl-7-prop-2-enylazepan-2-one

C10H17NO — CID 59072764

IUPAC(7R)-1-methyl-7-prop-2-enylazepan-2-one
SMILESC=CC[C@H]1CCCCC(=O)N1C
InChIInChI=1S/C10H17NO/c1-3-6-9-7-4-5-8-10(12)11(9)2/h3,9H,1,4-8H2,2H3/t9-/m0/s1
InChIKeyZJHXIIISNOQVDZ-VIFPVBQESA-N
MW167.25 g/mol
LogP1.96
Rot. Bonds2

About (7R)-1-methyl-7-prop-2-enylazepan-2-one

(7R)-1-methyl-7-prop-2-enylazepan-2-one (PubChem CID 59072764) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (7R)-1-methyl-7-prop-2-enylazepan-2-one.

Molecular Properties

Compound Name(7R)-1-methyl-7-prop-2-enylazepan-2-one
PubChem CID59072764
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(7R)-1-methyl-7-prop-2-enylazepan-2-one
SMILESC=CC[C@H]1CCCCC(=O)N1C
InChIInChI=1S/C10H17NO/c1-3-6-9-7-4-5-8-10(12)11(9)2/h3,9H,1,4-8H2,2H3/t9-/m0/s1
InChIKeyZJHXIIISNOQVDZ-VIFPVBQESA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(7R)-7-ethenyl-1-methoxyazepan-2-one
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(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one
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CID 11286664
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CID 10889825
1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one
CID 121221572
1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone
CID 93476405
5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one
CID 126856976
1-(2-prop-2-enylpiperidin-1-yl)ethanone
CID 11116438
3-prop-2-enylcycloheptan-1-one
CID 11378603
1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one
CID 139799297
(7R)-7-prop-2-enyloxepan-2-one
CID 12914542

Frequently Asked Questions

What is the IUPAC name of (7R)-1-methyl-7-prop-2-enylazepan-2-one?
The IUPAC name of (7R)-1-methyl-7-prop-2-enylazepan-2-one (CID 59072764) is (7R)-1-methyl-7-prop-2-enylazepan-2-one.
What is the SMILES notation for (7R)-1-methyl-7-prop-2-enylazepan-2-one?
The canonical SMILES for (7R)-1-methyl-7-prop-2-enylazepan-2-one is C=CC[C@H]1CCCCC(=O)N1C.
What is the InChIKey of (7R)-1-methyl-7-prop-2-enylazepan-2-one?
The InChIKey is ZJHXIIISNOQVDZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO/c1-3-6-9-7-4-5-8-10(12)11(9)2/h3,9H,1,4-8H2,2H3/t9-/m0/s1.
What are the key properties of (7R)-1-methyl-7-prop-2-enylazepan-2-one?
(7R)-1-methyl-7-prop-2-enylazepan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-methyl-7-prop-2-enylazepan-2-one is sourced from PubChem (CID 59072764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).