(1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene

C13H19N — CID 90700421

IUPAC(1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene
SMILESCC1CCC=C/C=C2/CCCCN=C21
InChIInChI=1S/C13H19N/c1-11-7-3-2-4-8-12-9-5-6-10-14-13(11)12/h2,4,8,11H,3,5-7,9-10H2,1H3/b4-2?,12-8-
InChIKeyCQRCKTLFONUVDT-UYAHFDNISA-N
MW189.30 g/mol
LogP3.52
Rot. Bonds

About (1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene

(1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene (PubChem CID 90700421) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene.

Molecular Properties

Compound Name(1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene
PubChem CID90700421
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene
SMILESCC1CCC=C/C=C2/CCCCN=C21
InChIInChI=1S/C13H19N/c1-11-7-3-2-4-8-12-9-5-6-10-14-13(11)12/h2,4,8,11H,3,5-7,9-10H2,1H3/b4-2?,12-8-
InChIKeyCQRCKTLFONUVDT-UYAHFDNISA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-Ethyl-10-fluoro-2-azabicyclo[5.4.1]dodeca-2,4,8,10-tetraene
CID 146580857
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
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5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
18-Methyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 20160460
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18-Ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 57196680
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545
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CID 70364652

Frequently Asked Questions

What is the IUPAC name of (1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene?
The IUPAC name of (1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene (CID 90700421) is (1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene.
What is the SMILES notation for (1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene?
The canonical SMILES for (1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene is CC1CCC=C/C=C2/CCCCN=C21.
What is the InChIKey of (1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene?
The InChIKey is CQRCKTLFONUVDT-UYAHFDNISA-N. The full InChI is InChI=1S/C13H19N/c1-11-7-3-2-4-8-12-9-5-6-10-14-13(11)12/h2,4,8,11H,3,5-7,9-10H2,1H3/b4-2?,12-8-.
What are the key properties of (1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene?
(1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene has a molecular weight of 189.30 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene is sourced from PubChem (CID 90700421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).