9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole

C13H21N — CID 57376062

IUPAC9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole
SMILESCN1C2=CCCCC2C2CCCCC21
InChIInChI=1S/C13H21N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h8,10-11,13H,2-7,9H2,1H3
InChIKeyHPWVDVYAZHMDCX-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.17
Rot. Bonds

About 9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole

9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole (PubChem CID 57376062) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole.

Molecular Properties

Compound Name9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole
PubChem CID57376062
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole
SMILESCN1C2=CCCCC2C2CCCCC21
InChIInChI=1S/C13H21N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h8,10-11,13H,2-7,9H2,1H3
InChIKeyHPWVDVYAZHMDCX-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole?
The IUPAC name of 9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole (CID 57376062) is 9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole.
What is the SMILES notation for 9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole?
The canonical SMILES for 9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole is CN1C2=CCCCC2C2CCCCC21.
What is the InChIKey of 9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole?
The InChIKey is HPWVDVYAZHMDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h8,10-11,13H,2-7,9H2,1H3.
What are the key properties of 9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole?
9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole has a molecular weight of 191.32 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4,4a,4b,5,6,7,9a-decahydrocarbazole is sourced from PubChem (CID 57376062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).