[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate

C22H24N2O2 — CID 23470321

IUPAC[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate
SMILESCN(C)C1CCc2[nH]c3c(COC(=O)c4ccccc4)cccc3c2C1
InChIInChI=1S/C22H24N2O2/c1-24(2)17-11-12-20-19(13-17)18-10-6-9-16(21(18)23-20)14-26-22(25)15-7-4-3-5-8-15/h3-10,17,23H,11-14H2,1-2H3
InChIKeyKVDGFDLTDCQEHP-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.94
Rot. Bonds4

About [6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate

[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate (PubChem CID 23470321) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is [6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate.

Molecular Properties

Compound Name[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate
PubChem CID23470321
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate
SMILESCN(C)C1CCc2[nH]c3c(COC(=O)c4ccccc4)cccc3c2C1
InChIInChI=1S/C22H24N2O2/c1-24(2)17-11-12-20-19(13-17)18-10-6-9-16(21(18)23-20)14-26-22(25)15-7-4-3-5-8-15/h3-10,17,23H,11-14H2,1-2H3
InChIKeyKVDGFDLTDCQEHP-UHFFFAOYSA-N
XLogP3.94
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-4-methoxyphenyl)methyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 23470239
(3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 129396498
(3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 129404110
(8-phenoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate
CID 23470459
(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888463
ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
CID 54344220
7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 23340474
N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
CID 23470481
2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
CID 84630860
N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 113097309
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 71895636
prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
CID 54473685

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate?
The IUPAC name of [6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate (CID 23470321) is [6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate.
What is the SMILES notation for [6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate?
The canonical SMILES for [6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate is CN(C)C1CCc2[nH]c3c(COC(=O)c4ccccc4)cccc3c2C1.
What is the InChIKey of [6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate?
The InChIKey is KVDGFDLTDCQEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-24(2)17-11-12-20-19(13-17)18-10-6-9-16(21(18)23-20)14-26-22(25)15-7-4-3-5-8-15/h3-10,17,23H,11-14H2,1-2H3.
What are the key properties of [6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate?
[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate has a molecular weight of 348.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate is sourced from PubChem (CID 23470321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).