(4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine

C12H17N — CID 123782843

IUPAC(4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine
SMILESCC1CCC=C/C=C2/CCCN=C21
InChIInChI=1S/C12H17N/c1-10-6-3-2-4-7-11-8-5-9-13-12(10)11/h2,4,7,10H,3,5-6,8-9H2,1H3/b4-2?,11-7-
InChIKeyBLRKASLUXMGLIU-KCDBDYTRSA-N
MW175.28 g/mol
LogP3.13
Rot. Bonds

About (4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine

(4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine (PubChem CID 123782843) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine.

Molecular Properties

Compound Name(4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine
PubChem CID123782843
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine
SMILESCC1CCC=C/C=C2/CCCN=C21
InChIInChI=1S/C12H17N/c1-10-6-3-2-4-7-11-8-5-9-13-12(10)11/h2,4,7,10H,3,5-6,8-9H2,1H3/b4-2?,11-7-
InChIKeyBLRKASLUXMGLIU-KCDBDYTRSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine with MolForge

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Related Compounds

CID 6445873
CID 6445873
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
9-Fluoro-2,7-dimethyl-3,4,4a,5,6,10a-hexahydrocycloocta[b]pyridine
CID 123688718
3-methyl-6-[(3E,5E)-2,6,7-trifluorohepta-1,3,5-trien-4-yl]-2,3,4,5-tetrahydropyridine
CID 166963371
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 134983011
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 10965517
5-[(1R,6S)-7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl]-3,4-dihydro-2H-pyrrole
CID 15939420
18-Methyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 20160460

Frequently Asked Questions

What is the IUPAC name of (4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine?
The IUPAC name of (4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine (CID 123782843) is (4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine.
What is the SMILES notation for (4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine?
The canonical SMILES for (4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine is CC1CCC=C/C=C2/CCCN=C21.
What is the InChIKey of (4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine?
The InChIKey is BLRKASLUXMGLIU-KCDBDYTRSA-N. The full InChI is InChI=1S/C12H17N/c1-10-6-3-2-4-7-11-8-5-9-13-12(10)11/h2,4,7,10H,3,5-6,8-9H2,1H3/b4-2?,11-7-.
What are the key properties of (4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine?
(4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine has a molecular weight of 175.28 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine is sourced from PubChem (CID 123782843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).