(3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole

C17H22N2 — CID 54475089

IUPAC(3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole
SMILESCc1ccc2[nH]c3c(c2c1)[C@@H]1CN(C)C(C)[C@@H]1CC3
InChIInChI=1S/C17H22N2/c1-10-4-6-15-13(8-10)17-14-9-19(3)11(2)12(14)5-7-16(17)18-15/h4,6,8,11-12,14,18H,5,7,9H2,1-3H3/t11?,12-,14+/m0/s1
InChIKeyXKZMESBENOMCPG-VBVNFKHJSA-N
MW254.38 g/mol
LogP3.46
Rot. Bonds

About (3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole

(3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole (PubChem CID 54475089) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole.

Molecular Properties

Compound Name(3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole
PubChem CID54475089
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole
SMILESCc1ccc2[nH]c3c(c2c1)[C@@H]1CN(C)C(C)[C@@H]1CC3
InChIInChI=1S/C17H22N2/c1-10-4-6-15-13(8-10)17-14-9-19(3)11(2)12(14)5-7-16(17)18-15/h4,6,8,11-12,14,18H,5,7,9H2,1-3H3/t11?,12-,14+/m0/s1
InChIKeyXKZMESBENOMCPG-VBVNFKHJSA-N
XLogP3.46
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole?
The IUPAC name of (3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole (CID 54475089) is (3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole.
What is the SMILES notation for (3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole?
The canonical SMILES for (3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole is Cc1ccc2[nH]c3c(c2c1)[C@@H]1CN(C)C(C)[C@@H]1CC3.
What is the InChIKey of (3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole?
The InChIKey is XKZMESBENOMCPG-VBVNFKHJSA-N. The full InChI is InChI=1S/C17H22N2/c1-10-4-6-15-13(8-10)17-14-9-19(3)11(2)12(14)5-7-16(17)18-15/h4,6,8,11-12,14,18H,5,7,9H2,1-3H3/t11?,12-,14+/m0/s1.
What are the key properties of (3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole?
(3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole has a molecular weight of 254.38 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,10cR)-2,3,9-trimethyl-3,3a,4,5,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole is sourced from PubChem (CID 54475089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).