(7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine

C9H16N2 — CID 89005779

IUPAC(7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine
SMILESC=C1N(C)/C=C\CCCN1C
InChIInChI=1S/C9H16N2/c1-9-10(2)7-5-4-6-8-11(9)3/h5,7H,1,4,6,8H2,2-3H3/b7-5-
InChIKeyLCWAZMDOFZCUQM-ALCCZGGFSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds

About (7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine

(7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine (PubChem CID 89005779) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine.

Molecular Properties

Compound Name(7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine
PubChem CID89005779
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine
SMILESC=C1N(C)/C=C\CCCN1C
InChIInChI=1S/C9H16N2/c1-9-10(2)7-5-4-6-8-11(9)3/h5,7H,1,4,6,8H2,2-3H3/b7-5-
InChIKeyLCWAZMDOFZCUQM-ALCCZGGFSA-N
XLogP1.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine?
The IUPAC name of (7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine (CID 89005779) is (7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine.
What is the SMILES notation for (7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine?
The canonical SMILES for (7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine is C=C1N(C)/C=C\CCCN1C.
What is the InChIKey of (7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine?
The InChIKey is LCWAZMDOFZCUQM-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16N2/c1-9-10(2)7-5-4-6-8-11(9)3/h5,7H,1,4,6,8H2,2-3H3/b7-5-.
What are the key properties of (7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine?
(7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine has a molecular weight of 152.24 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine is sourced from PubChem (CID 89005779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).