1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole

C13H21N — CID 89395462

IUPAC1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole
SMILESCC1CCCC2C3C=CCCC3NC12
InChIInChI=1S/C13H21N/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2,6,9-14H,3-5,7-8H2,1H3
InChIKeyVMIXRAQVWQLTSU-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.73
Rot. Bonds

About 1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole

1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole (PubChem CID 89395462) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole.

Molecular Properties

Compound Name1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole
PubChem CID89395462
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole
SMILESCC1CCCC2C3C=CCCC3NC12
InChIInChI=1S/C13H21N/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2,6,9-14H,3-5,7-8H2,1H3
InChIKeyVMIXRAQVWQLTSU-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole?
The IUPAC name of 1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole (CID 89395462) is 1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole.
What is the SMILES notation for 1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole?
The canonical SMILES for 1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole is CC1CCCC2C3C=CCCC3NC12.
What is the InChIKey of 1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole?
The InChIKey is VMIXRAQVWQLTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2,6,9-14H,3-5,7-8H2,1H3.
What are the key properties of 1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole?
1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole has a molecular weight of 191.32 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole is sourced from PubChem (CID 89395462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).