2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole

C21H29N3 — CID 141424837

IUPAC2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCC(CN1CCn2c(cc3cc(C)ccc32)C1)=C1CCCCCN1
InChIInChI=1S/C21H29N3/c1-16-7-8-21-18(12-16)13-19-15-23(10-11-24(19)21)14-17(2)20-6-4-3-5-9-22-20/h7-8,12-13,22H,3-6,9-11,14-15H2,1-2H3
InChIKeyHDBLYQHGQRRWEJ-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.20
Rot. Bonds2

About 2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole

2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 141424837) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID141424837
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCC(CN1CCn2c(cc3cc(C)ccc32)C1)=C1CCCCCN1
InChIInChI=1S/C21H29N3/c1-16-7-8-21-18(12-16)13-19-15-23(10-11-24(19)21)14-17(2)20-6-4-3-5-9-22-20/h7-8,12-13,22H,3-6,9-11,14-15H2,1-2H3
InChIKeyHDBLYQHGQRRWEJ-UHFFFAOYSA-N
XLogP4.20
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole with MolForge

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Related Compounds

2-(8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine
CID 84740733
3-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine
CID 84740732
2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 102297051
2-(azepan-1-ylmethyl)-1,5-dimethylindole
CID 117185359
1-(4-cyclobutylpiperazin-1-yl)-2-(1,3,4,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-11-yl)ethanone
CID 58090880
5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid
CID 83968374
2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 90643116
(2E)-2-(azepan-2-ylidene)-2-(2-fluoro-4-methylphenyl)sulfonylacetonitrile
CID 75527711
8-(4-methylphenyl)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole
CID 22720925
8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen
CID 143099737
1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one
CID 63555836
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 141424837) is 2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is CC(CN1CCn2c(cc3cc(C)ccc32)C1)=C1CCCCCN1.
What is the InChIKey of 2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is HDBLYQHGQRRWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-16-7-8-21-18(12-16)13-19-15-23(10-11-24(19)21)14-17(2)20-6-4-3-5-9-22-20/h7-8,12-13,22H,3-6,9-11,14-15H2,1-2H3.
What are the key properties of 2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 323.48 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-2-ylidene)propyl]-8-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 141424837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).