ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate

C17H23N3O2 — CID 54344220

IUPACethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc2[nH]c3c(c2c1)CC(N(C)C)CC3
InChIInChI=1S/C17H23N3O2/c1-4-22-17(21)18-11-5-7-15-13(9-11)14-10-12(20(2)3)6-8-16(14)19-15/h5,7,9,12,19H,4,6,8,10H2,1-3H3,(H,18,21)
InChIKeyUBDFDDNOFXXFQO-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.16
Rot. Bonds3

About ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate

ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate (PubChem CID 54344220) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
PubChem CID54344220
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Nameethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc2[nH]c3c(c2c1)CC(N(C)C)CC3
InChIInChI=1S/C17H23N3O2/c1-4-22-17(21)18-11-5-7-15-13(9-11)14-10-12(20(2)3)6-8-16(14)19-15/h5,7,9,12,19H,4,6,8,10H2,1-3H3,(H,18,21)
InChIKeyUBDFDDNOFXXFQO-UHFFFAOYSA-N
XLogP3.16
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate?
The IUPAC name of ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate (CID 54344220) is ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate is CCOC(=O)Nc1ccc2[nH]c3c(c2c1)CC(N(C)C)CC3.
What is the InChIKey of ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate?
The InChIKey is UBDFDDNOFXXFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-22-17(21)18-11-5-7-15-13(9-11)14-10-12(20(2)3)6-8-16(14)19-15/h5,7,9,12,19H,4,6,8,10H2,1-3H3,(H,18,21).
What are the key properties of ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate?
ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate has a molecular weight of 301.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate is sourced from PubChem (CID 54344220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).