(7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one

C11H16O — CID 130643883

IUPAC(7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one
SMILESC=CC[C@]1(C)CCCC=CC1=O
InChIInChI=1S/C11H16O/c1-3-8-11(2)9-6-4-5-7-10(11)12/h3,5,7H,1,4,6,8-9H2,2H3/t11-/m1/s1
InChIKeyZRWDQHTWMUSRNA-LLVKDONJSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds2

About (7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one

(7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one (PubChem CID 130643883) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one.

Molecular Properties

Compound Name(7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one
PubChem CID130643883
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one
SMILESC=CC[C@]1(C)CCCC=CC1=O
InChIInChI=1S/C11H16O/c1-3-8-11(2)9-6-4-5-7-10(11)12/h3,5,7H,1,4,6,8-9H2,2H3/t11-/m1/s1
InChIKeyZRWDQHTWMUSRNA-LLVKDONJSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
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

6-methyl-6-prop-2-enylcyclohex-2-en-1-one
CID 13024680
6-(3-chlorobut-2-enyl)-6-methylcyclohex-2-en-1-one
CID 131879044
3-methyl-3-prop-2-enylcyclohexane-1,2-dione
CID 13156859
3-methyl-3-prop-2-enyloxepan-2-one
CID 174899339
2,6-dimethyl-6-prop-2-enylcyclohexene-1-carbaldehyde
CID 121014603
(4R,7R)-4,7-dimethyl-3-[(E)-2-phenylethenyl]-4,7-bis(prop-2-enyl)cyclohept-2-en-1-one
CID 162418398
3-ethenyl-4-methyl-4-prop-2-enylcyclohex-2-en-1-one
CID 14525737
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
(3S)-1-benzoyl-3-methyl-3-prop-2-enylpiperidin-2-one
CID 53495094
(1S,5S)-3,5-dimethyl-3-prop-2-enylbicyclo[3.3.1]nonane-2,9-dione
CID 10867813
(4R,5S)-5-methyl-4-propan-2-yl-5-prop-2-enylcyclopent-2-en-1-one
CID 131109256
(5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 139125944

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one?
The IUPAC name of (7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one (CID 130643883) is (7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one.
What is the SMILES notation for (7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one?
The canonical SMILES for (7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one is C=CC[C@]1(C)CCCC=CC1=O.
What is the InChIKey of (7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one?
The InChIKey is ZRWDQHTWMUSRNA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O/c1-3-8-11(2)9-6-4-5-7-10(11)12/h3,5,7H,1,4,6,8-9H2,2H3/t11-/m1/s1.
What are the key properties of (7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one?
(7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-7-prop-2-enylcyclohept-2-en-1-one is sourced from PubChem (CID 130643883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).