4,4a,4b,8a,9,9a-hexahydro-3H-carbazole

C12H15N — CID 19069148

IUPAC4,4a,4b,8a,9,9a-hexahydro-3H-carbazole
SMILESC1=CC2NC3C=CCCC3C2C=C1
InChIInChI=1S/C12H15N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3-5,7-13H,2,6H2
InChIKeyGSUHIOXMANOTNM-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.04
Rot. Bonds

About 4,4a,4b,8a,9,9a-hexahydro-3H-carbazole

4,4a,4b,8a,9,9a-hexahydro-3H-carbazole (PubChem CID 19069148) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4,4a,4b,8a,9,9a-hexahydro-3H-carbazole.

Molecular Properties

Compound Name4,4a,4b,8a,9,9a-hexahydro-3H-carbazole
PubChem CID19069148
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4,4a,4b,8a,9,9a-hexahydro-3H-carbazole
SMILESC1=CC2NC3C=CCCC3C2C=C1
InChIInChI=1S/C12H15N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3-5,7-13H,2,6H2
InChIKeyGSUHIOXMANOTNM-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.04
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 4,4a,4b,8a,9,9a-hexahydro-3H-carbazole?
The IUPAC name of 4,4a,4b,8a,9,9a-hexahydro-3H-carbazole (CID 19069148) is 4,4a,4b,8a,9,9a-hexahydro-3H-carbazole.
What is the SMILES notation for 4,4a,4b,8a,9,9a-hexahydro-3H-carbazole?
The canonical SMILES for 4,4a,4b,8a,9,9a-hexahydro-3H-carbazole is C1=CC2NC3C=CCCC3C2C=C1.
What is the InChIKey of 4,4a,4b,8a,9,9a-hexahydro-3H-carbazole?
The InChIKey is GSUHIOXMANOTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3-5,7-13H,2,6H2.
What are the key properties of 4,4a,4b,8a,9,9a-hexahydro-3H-carbazole?
4,4a,4b,8a,9,9a-hexahydro-3H-carbazole has a molecular weight of 173.26 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,4b,8a,9,9a-hexahydro-3H-carbazole is sourced from PubChem (CID 19069148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).