2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one

C11H16O — CID 143302043

IUPAC2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one
SMILESC/C=C\C1=C(C)C(=O)CCCC1
InChIInChI=1S/C11H16O/c1-3-6-10-7-4-5-8-11(12)9(10)2/h3,6H,4-5,7-8H2,1-2H3/b6-3-
InChIKeyREYDJJHCGMLIBU-UTCJRWHESA-N
MW164.25 g/mol
LogP3.02
Rot. Bonds1

About 2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one

2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one (PubChem CID 143302043) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one
PubChem CID143302043
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one
SMILESC/C=C\C1=C(C)C(=O)CCCC1
InChIInChI=1S/C11H16O/c1-3-6-10-7-4-5-8-11(12)9(10)2/h3,6H,4-5,7-8H2,1-2H3/b6-3-
InChIKeyREYDJJHCGMLIBU-UTCJRWHESA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one?
The IUPAC name of 2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one (CID 143302043) is 2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one.
What is the SMILES notation for 2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one?
The canonical SMILES for 2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one is C/C=C\C1=C(C)C(=O)CCCC1.
What is the InChIKey of 2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one?
The InChIKey is REYDJJHCGMLIBU-UTCJRWHESA-N. The full InChI is InChI=1S/C11H16O/c1-3-6-10-7-4-5-8-11(12)9(10)2/h3,6H,4-5,7-8H2,1-2H3/b6-3-.
What are the key properties of 2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one?
2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one has a molecular weight of 164.25 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one is sourced from PubChem (CID 143302043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).