(4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine

C16H17N — CID 155038770

IUPAC(4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine
SMILESC=C1/C=C\C=C/Cc2cc(C)c(C)cc2/C=N\1
InChIInChI=1S/C16H17N/c1-12-9-15-8-6-4-5-7-14(3)17-11-16(15)10-13(12)2/h4-7,9-11H,3,8H2,1-2H3/b6-4-,7-5-,17-11-
InChIKeyNBSAARKJQBIDEC-FLWBJFLLSA-N
MW223.32 g/mol
LogP3.90
Rot. Bonds

About (4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine

(4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine (PubChem CID 155038770) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine.

Molecular Properties

Compound Name(4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine
PubChem CID155038770
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine
SMILESC=C1/C=C\C=C/Cc2cc(C)c(C)cc2/C=N\1
InChIInChI=1S/C16H17N/c1-12-9-15-8-6-4-5-7-14(3)17-11-16(15)10-13(12)2/h4-7,9-11H,3,8H2,1-2H3/b6-4-,7-5-,17-11-
InChIKeyNBSAARKJQBIDEC-FLWBJFLLSA-N
XLogP3.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine?
The IUPAC name of (4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine (CID 155038770) is (4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine.
What is the SMILES notation for (4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine?
The canonical SMILES for (4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine is C=C1/C=C\C=C/Cc2cc(C)c(C)cc2/C=N\1.
What is the InChIKey of (4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine?
The InChIKey is NBSAARKJQBIDEC-FLWBJFLLSA-N. The full InChI is InChI=1S/C16H17N/c1-12-9-15-8-6-4-5-7-14(3)17-11-16(15)10-13(12)2/h4-7,9-11H,3,8H2,1-2H3/b6-4-,7-5-,17-11-.
What are the key properties of (4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine?
(4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine has a molecular weight of 223.32 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine is sourced from PubChem (CID 155038770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).