1-methylidene-5,9-dihydropyrido[4,3-b]indole

C12H10N2 — CID 136629763

IUPAC1-methylidene-5,9-dihydropyrido[4,3-b]indole
SMILESC=c1nccc2[nH]c3c(c12)CC=CC=3
InChIInChI=1S/C12H10N2/c1-8-12-9-4-2-3-5-10(9)14-11(12)6-7-13-8/h2-3,5-7,14H,1,4H2
InChIKeyJYARJMZQHIFPIT-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.87
Rot. Bonds

About 1-methylidene-5,9-dihydropyrido[4,3-b]indole

1-methylidene-5,9-dihydropyrido[4,3-b]indole (PubChem CID 136629763) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-methylidene-5,9-dihydropyrido[4,3-b]indole.

Molecular Properties

Compound Name1-methylidene-5,9-dihydropyrido[4,3-b]indole
PubChem CID136629763
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1-methylidene-5,9-dihydropyrido[4,3-b]indole
SMILESC=c1nccc2[nH]c3c(c12)CC=CC=3
InChIInChI=1S/C12H10N2/c1-8-12-9-4-2-3-5-10(9)14-11(12)6-7-13-8/h2-3,5-7,14H,1,4H2
InChIKeyJYARJMZQHIFPIT-UHFFFAOYSA-N
XLogP0.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-pyrrolo[3,2-h]quinolin-8-amine
CID 928266
1h Pyrido[4,3 b]indole
CID 21499447
4,4'-Biindolyl
CID 129892041
4,5-Dihydropyrroloquinoxaline
CID 138756856
4,5-Dihydro-beta-carboline
CID 139024388
8-(difluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 137289635
8-(fluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 142393205
Cyclopenta[a][4,7]phenanthroline
CID 129753063
2-(6H-indol-3-yl)ethanimine
CID 11840987
Cnqhzydpuqxjjn-uhfffaoysa-
CID 135753407
9,9a-dihydro-1H-pyrido[1,2-a]indol-5-ium
CID 20312270
5H-pyrido[2,3-b]indol-4-amine
CID 86754514

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-5,9-dihydropyrido[4,3-b]indole?
The IUPAC name of 1-methylidene-5,9-dihydropyrido[4,3-b]indole (CID 136629763) is 1-methylidene-5,9-dihydropyrido[4,3-b]indole.
What is the SMILES notation for 1-methylidene-5,9-dihydropyrido[4,3-b]indole?
The canonical SMILES for 1-methylidene-5,9-dihydropyrido[4,3-b]indole is C=c1nccc2[nH]c3c(c12)CC=CC=3.
What is the InChIKey of 1-methylidene-5,9-dihydropyrido[4,3-b]indole?
The InChIKey is JYARJMZQHIFPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-8-12-9-4-2-3-5-10(9)14-11(12)6-7-13-8/h2-3,5-7,14H,1,4H2.
What are the key properties of 1-methylidene-5,9-dihydropyrido[4,3-b]indole?
1-methylidene-5,9-dihydropyrido[4,3-b]indole has a molecular weight of 182.23 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-5,9-dihydropyrido[4,3-b]indole is sourced from PubChem (CID 136629763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).