(5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine

C12H17N — CID 134594110

IUPAC(5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine
SMILESC=C1/N=C(C)\C=C/C(C)=C\CC1C
InChIInChI=1S/C12H17N/c1-9-5-7-10(2)12(4)13-11(3)8-6-9/h5-6,8,10H,4,7H2,1-3H3/b8-6-,9-5-,13-11-
InChIKeyLSDPICRRIXPOOL-FALGBVNOSA-N
MW175.27 g/mol
LogP3.50
Rot. Bonds

About (5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine

(5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine (PubChem CID 134594110) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine.

Molecular Properties

Compound Name(5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine
PubChem CID134594110
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine
SMILESC=C1/N=C(C)\C=C/C(C)=C\CC1C
InChIInChI=1S/C12H17N/c1-9-5-7-10(2)12(4)13-11(3)8-6-9/h5-6,8,10H,4,7H2,1-3H3/b8-6-,9-5-,13-11-
InChIKeyLSDPICRRIXPOOL-FALGBVNOSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine?
The IUPAC name of (5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine (CID 134594110) is (5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine.
What is the SMILES notation for (5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine?
The canonical SMILES for (5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine is C=C1/N=C(C)\C=C/C(C)=C\CC1C.
What is the InChIKey of (5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine?
The InChIKey is LSDPICRRIXPOOL-FALGBVNOSA-N. The full InChI is InChI=1S/C12H17N/c1-9-5-7-10(2)12(4)13-11(3)8-6-9/h5-6,8,10H,4,7H2,1-3H3/b8-6-,9-5-,13-11-.
What are the key properties of (5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine?
(5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine has a molecular weight of 175.27 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine is sourced from PubChem (CID 134594110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).