benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate

C21H22N2O2 — CID 129322953

IUPACbenzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
SMILESCc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)OCc1ccccc1)CC3
InChIInChI=1S/C21H22N2O2/c1-14-7-9-19-17(11-14)18-12-16(8-10-20(18)23-19)22-21(24)25-13-15-5-3-2-4-6-15/h2-7,9,11,16,23H,8,10,12-13H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyWYCGMZBHQBNTGL-INIZCTEOSA-N
MW334.42 g/mol
LogP4.26
Rot. Bonds3

About benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate

benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate (PubChem CID 129322953) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
PubChem CID129322953
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Namebenzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
SMILESCc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)OCc1ccccc1)CC3
InChIInChI=1S/C21H22N2O2/c1-14-7-9-19-17(11-14)18-12-16(8-10-20(18)23-19)22-21(24)25-13-15-5-3-2-4-6-15/h2-7,9,11,16,23H,8,10,12-13H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyWYCGMZBHQBNTGL-INIZCTEOSA-N
XLogP4.26
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 89384459
2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096862
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
methyl (5S)-2-amino-5-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 146278857
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide
CID 84581192
2-[6-fluoro-8-methyl-3-(phenylmethoxycarbonylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 66812085
benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 11175233
N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612972
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid
CID 118578727
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate (CID 129322953) is benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate is Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)OCc1ccccc1)CC3.
What is the InChIKey of benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate?
The InChIKey is WYCGMZBHQBNTGL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-7-9-19-17(11-14)18-12-16(8-10-20(18)23-19)22-21(24)25-13-15-5-3-2-4-6-15/h2-7,9,11,16,23H,8,10,12-13H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate?
benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate is sourced from PubChem (CID 129322953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).