methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate

C13H14N2O2 — CID 84581597

IUPACmethyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
SMILESCOC(=O)NC1Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H14N2O2/c1-17-13(16)14-8-6-10-9-4-2-3-5-11(9)15-12(10)7-8/h2-5,8,15H,6-7H2,1H3,(H,14,16)
InChIKeyDTHFVPDUGUJAOT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.99
Rot. Bonds1

About methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate

methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate (PubChem CID 84581597) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
PubChem CID84581597
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
SMILESCOC(=O)NC1Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H14N2O2/c1-17-13(16)14-8-6-10-9-4-2-3-5-11(9)15-12(10)7-8/h2-5,8,15H,6-7H2,1H3,(H,14,16)
InChIKeyDTHFVPDUGUJAOT-UHFFFAOYSA-N
XLogP1.99
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.99
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

3,4,5-trimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580879
3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580618
4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579356
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582542
3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582022
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide
CID 84581981
2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84581853
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856
methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 12762686

Frequently Asked Questions

What is the IUPAC name of methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate?
The IUPAC name of methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate (CID 84581597) is methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate.
What is the SMILES notation for methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate?
The canonical SMILES for methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate is COC(=O)NC1Cc2[nH]c3ccccc3c2C1.
What is the InChIKey of methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate?
The InChIKey is DTHFVPDUGUJAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-13(16)14-8-6-10-9-4-2-3-5-11(9)15-12(10)7-8/h2-5,8,15H,6-7H2,1H3,(H,14,16).
What are the key properties of methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate?
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate has a molecular weight of 230.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate is sourced from PubChem (CID 84581597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).