(5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole

C14H16N2 — CID 132918732

IUPAC(5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole
SMILESCn1c2c(c3ccccc31)CCNC/C=C\2
InChIInChI=1S/C14H16N2/c1-16-13-6-3-2-5-11(13)12-8-10-15-9-4-7-14(12)16/h2-7,15H,8-10H2,1H3/b7-4-
InChIKeyXREGKZAMXVJWLI-DAXSKMNVSA-N
MW212.30 g/mol
LogP2.34
Rot. Bonds

About (5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole

(5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole (PubChem CID 132918732) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole.

Molecular Properties

Compound Name(5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole
PubChem CID132918732
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole
SMILESCn1c2c(c3ccccc31)CCNC/C=C\2
InChIInChI=1S/C14H16N2/c1-16-13-6-3-2-5-11(13)12-8-10-15-9-4-7-14(12)16/h2-7,15H,8-10H2,1H3/b7-4-
InChIKeyXREGKZAMXVJWLI-DAXSKMNVSA-N
XLogP2.34
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole
CID 82411813
11,12-dimethyl-7,8-dihydroindolo[2,3-a]carbazole
CID 163716451
2,9-dimethyl-3,4-dihydrocarbazole
CID 149373411
1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole
CID 82393965
6,9-dimethyl-3,4-dihydrocarbazole
CID 134550715
2,6-dimethyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 170405716
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696
9-prop-1-en-2-yl-3,4-dihydrocarbazole
CID 155237406
ethane;bis(9-methylcarbazole)
CID 159710949
9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine
CID 149003548
N,9-dimethyl-N-(4-phenylphenyl)-5,6-dihydrocarbazol-3-amine
CID 149474002
2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 674261

Frequently Asked Questions

What is the IUPAC name of (5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole?
The IUPAC name of (5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole (CID 132918732) is (5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole.
What is the SMILES notation for (5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole?
The canonical SMILES for (5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole is Cn1c2c(c3ccccc31)CCNC/C=C\2.
What is the InChIKey of (5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole?
The InChIKey is XREGKZAMXVJWLI-DAXSKMNVSA-N. The full InChI is InChI=1S/C14H16N2/c1-16-13-6-3-2-5-11(13)12-8-10-15-9-4-7-14(12)16/h2-7,15H,8-10H2,1H3/b7-4-.
What are the key properties of (5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole?
(5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole has a molecular weight of 212.30 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole is sourced from PubChem (CID 132918732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).