(7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one

C14H21NO — CID 143509886

IUPAC(7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one
SMILESC=C1/C=C(C)\C=C/C(C)NC(=O)C(C)CC1
InChIInChI=1S/C14H21NO/c1-10-5-7-12(3)14(16)15-13(4)8-6-11(2)9-10/h6,8-9,12-13H,1,5,7H2,2-4H3,(H,15,16)/b8-6-,11-9-
InChIKeyVGUHFBLQCCWUSD-BBDSXROGSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds

About (7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one

(7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one (PubChem CID 143509886) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one.

Molecular Properties

Compound Name(7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one
PubChem CID143509886
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one
SMILESC=C1/C=C(C)\C=C/C(C)NC(=O)C(C)CC1
InChIInChI=1S/C14H21NO/c1-10-5-7-12(3)14(16)15-13(4)8-6-11(2)9-10/h6,8-9,12-13H,1,5,7H2,2-4H3,(H,15,16)/b8-6-,11-9-
InChIKeyVGUHFBLQCCWUSD-BBDSXROGSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one?
The IUPAC name of (7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one (CID 143509886) is (7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one.
What is the SMILES notation for (7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one?
The canonical SMILES for (7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one is C=C1/C=C(C)\C=C/C(C)NC(=O)C(C)CC1.
What is the InChIKey of (7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one?
The InChIKey is VGUHFBLQCCWUSD-BBDSXROGSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-7-12(3)14(16)15-13(4)8-6-11(2)9-10/h6,8-9,12-13H,1,5,7H2,2-4H3,(H,15,16)/b8-6-,11-9-.
What are the key properties of (7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one?
(7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one is sourced from PubChem (CID 143509886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).