[(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate

C16H21NO3 — CID 99580291

IUPAC[(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate
SMILESCO[C@H]1CCC[C@@H]1OC(=O)c1ccc2c(c1)N(C)CC2
InChIInChI=1S/C16H21NO3/c1-17-9-8-11-6-7-12(10-13(11)17)16(18)20-15-5-3-4-14(15)19-2/h6-7,10,14-15H,3-5,8-9H2,1-2H3/t14-,15-/m0/s1
InChIKeyVHMXZZFAHLHAPQ-GJZGRUSLSA-N
MW275.35 g/mol
LogP2.40
Rot. Bonds3

About [(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate

[(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate (PubChem CID 99580291) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate.

Molecular Properties

Compound Name[(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate
PubChem CID99580291
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate
SMILESCO[C@H]1CCC[C@@H]1OC(=O)c1ccc2c(c1)N(C)CC2
InChIInChI=1S/C16H21NO3/c1-17-9-8-11-6-7-12(10-13(11)17)16(18)20-15-5-3-4-14(15)19-2/h6-7,10,14-15H,3-5,8-9H2,1-2H3/t14-,15-/m0/s1
InChIKeyVHMXZZFAHLHAPQ-GJZGRUSLSA-N
XLogP2.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,1-trimethyl-2,3-dihydroindole-6-carboxamide
CID 134369280
[2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate
CID 67411034
(2-methoxycyclohexyl) 3,5-dimethoxybenzoate
CID 87001615
[(1S,2S)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate
CID 94815046
[(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate
CID 94815045
[(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate
CID 96523638
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methyl-2,3-dihydroindol-6-yl)methanone
CID 75455125
methyl 5-methyl-4-(1-methyl-2,3-dihydroindole-6-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-2-carboxylate
CID 136540864
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
CID 133062973
methyl 1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxylate
CID 165142456
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate?
The IUPAC name of [(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate (CID 99580291) is [(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate.
What is the SMILES notation for [(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate?
The canonical SMILES for [(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate is CO[C@H]1CCC[C@@H]1OC(=O)c1ccc2c(c1)N(C)CC2.
What is the InChIKey of [(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate?
The InChIKey is VHMXZZFAHLHAPQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17-9-8-11-6-7-12(10-13(11)17)16(18)20-15-5-3-4-14(15)19-2/h6-7,10,14-15H,3-5,8-9H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of [(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate?
[(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate is sourced from PubChem (CID 99580291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).