methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate

C14H16N2O2 — CID 102568775

IUPACmethyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate
SMILESCOC(=O)C1CCc2c1c1cc(N)ccc1n2C
InChIInChI=1S/C14H16N2O2/c1-16-11-5-3-8(15)7-10(11)13-9(14(17)18-2)4-6-12(13)16/h3,5,7,9H,4,6,15H2,1-2H3
InChIKeyASWVJPIDTXVGCD-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.96
Rot. Bonds1

About methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate

methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate (PubChem CID 102568775) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate
PubChem CID102568775
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate
SMILESCOC(=O)C1CCc2c1c1cc(N)ccc1n2C
InChIInChI=1S/C14H16N2O2/c1-16-11-5-3-8(15)7-10(11)13-9(14(17)18-2)4-6-12(13)16/h3,5,7,9H,4,6,15H2,1-2H3
InChIKeyASWVJPIDTXVGCD-UHFFFAOYSA-N
XLogP1.96
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate
CID 99996425
methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride
CID 171367133
(2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
CID 99996433
N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide
CID 10685494
methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613051
methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate
CID 101347837
9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one
CID 167211372
6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one
CID 142478419
(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 129405918
9-hydroxycarbazole-3,6-diamine
CID 130354547
(2R)-2-[(6-amino-1-methyl-2-oxoquinolin-4-yl)amino]-N-cyclopentylpropanamide
CID 156571031
ethyl 6,9-dimethyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612098

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate?
The IUPAC name of methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate (CID 102568775) is methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate.
What is the SMILES notation for methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate?
The canonical SMILES for methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate is COC(=O)C1CCc2c1c1cc(N)ccc1n2C.
What is the InChIKey of methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate?
The InChIKey is ASWVJPIDTXVGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-11-5-3-8(15)7-10(11)13-9(14(17)18-2)4-6-12(13)16/h3,5,7,9H,4,6,15H2,1-2H3.
What are the key properties of methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate?
methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate is sourced from PubChem (CID 102568775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).