(3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate

C16H21NO2 — CID 61301735

IUPAC(3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate
SMILESCC1CCCC(OC(=O)[C@@H]2Cc3ccccc3N2)C1
InChIInChI=1S/C16H21NO2/c1-11-5-4-7-13(9-11)19-16(18)15-10-12-6-2-3-8-14(12)17-15/h2-3,6,8,11,13,15,17H,4-5,7,9-10H2,1H3/t11?,13?,15-/m0/s1
InChIKeyMNSGMYMMOKLDJR-HGMXIMQMSA-N
MW259.35 g/mol
LogP3.15
Rot. Bonds2

About (3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate

(3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 61301735) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name(3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate
PubChem CID61301735
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate
SMILESCC1CCCC(OC(=O)[C@@H]2Cc3ccccc3N2)C1
InChIInChI=1S/C16H21NO2/c1-11-5-4-7-13(9-11)19-16(18)15-10-12-6-2-3-8-14(12)17-15/h2-3,6,8,11,13,15,17H,4-5,7,9-10H2,1H3/t11?,13?,15-/m0/s1
InChIKeyMNSGMYMMOKLDJR-HGMXIMQMSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate
CID 102606793
CID 159251036
CID 159251036
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
(3-methylcyclohexyl) 2-phenoxyacetate
CID 78838655
butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate
CID 60903928
cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902751
3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 76985611
N-(2-methylcyclopentyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76993656
ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride
CID 70480202
2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate
CID 61302855
1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
CID 67580634

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of (3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate (CID 61301735) is (3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for (3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for (3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate is CC1CCCC(OC(=O)[C@@H]2Cc3ccccc3N2)C1.
What is the InChIKey of (3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is MNSGMYMMOKLDJR-HGMXIMQMSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-5-4-7-13(9-11)19-16(18)15-10-12-6-2-3-8-14(12)17-15/h2-3,6,8,11,13,15,17H,4-5,7,9-10H2,1H3/t11?,13?,15-/m0/s1.
What are the key properties of (3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate?
(3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 61301735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).