(1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine

C11H14N2 — CID 174079054

IUPAC(1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine
SMILESCC1=CN2/N=C\CCCC=C2C=C1
InChIInChI=1S/C11H14N2/c1-10-6-7-11-5-3-2-4-8-12-13(11)9-10/h5-9H,2-4H2,1H3/b11-5?,12-8-
InChIKeyJJPFMMKBKAJUOI-MASIDHJFSA-N
MW174.25 g/mol
LogP2.82
Rot. Bonds

About (1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine

(1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine (PubChem CID 174079054) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine.

Molecular Properties

Compound Name(1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine
PubChem CID174079054
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine
SMILESCC1=CN2/N=C\CCCC=C2C=C1
InChIInChI=1S/C11H14N2/c1-10-6-7-11-5-3-2-4-8-12-13(11)9-10/h5-9H,2-4H2,1H3/b11-5?,12-8-
InChIKeyJJPFMMKBKAJUOI-MASIDHJFSA-N
XLogP2.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine?
The IUPAC name of (1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine (CID 174079054) is (1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine.
What is the SMILES notation for (1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine?
The canonical SMILES for (1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine is CC1=CN2/N=C\CCCC=C2C=C1.
What is the InChIKey of (1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine?
The InChIKey is JJPFMMKBKAJUOI-MASIDHJFSA-N. The full InChI is InChI=1S/C11H14N2/c1-10-6-7-11-5-3-2-4-8-12-13(11)9-10/h5-9H,2-4H2,1H3/b11-5?,12-8-.
What are the key properties of (1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine?
(1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine has a molecular weight of 174.25 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine is sourced from PubChem (CID 174079054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).