butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate

C13H17NO2 — CID 60903928

IUPACbutan-2-yl 2,3-dihydro-1H-indole-2-carboxylate
SMILESCCC(C)OC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C13H17NO2/c1-3-9(2)16-13(15)12-8-10-6-4-5-7-11(10)14-12/h4-7,9,12,14H,3,8H2,1-2H3
InChIKeyFUQSEBYURNJWJM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.36
Rot. Bonds3

About butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate

butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 60903928) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 2,3-dihydro-1H-indole-2-carboxylate
PubChem CID60903928
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namebutan-2-yl 2,3-dihydro-1H-indole-2-carboxylate
SMILESCCC(C)OC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C13H17NO2/c1-3-9(2)16-13(15)12-8-10-6-4-5-7-11(10)14-12/h4-7,9,12,14H,3,8H2,1-2H3
InChIKeyFUQSEBYURNJWJM-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

octan-2-yl 2,3-dihydro-1H-indole-2-carboxylate
CID 61301717
CID 159251036
CID 159251036
ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride
CID 70480202
1,1-dihydroxypentyl (2R)-2,3-dihydro-1H-indole-2-carboxylate
CID 18637669
1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
CID 67580634
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone
CID 116596831
2-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]butanoic acid
CID 77061382
2-[[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]methyl]butanoic acid
CID 65224491
1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one
CID 70952651

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate (CID 60903928) is butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate is CCC(C)OC(=O)C1Cc2ccccc2N1.
What is the InChIKey of butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is FUQSEBYURNJWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-9(2)16-13(15)12-8-10-6-4-5-7-11(10)14-12/h4-7,9,12,14H,3,8H2,1-2H3.
What are the key properties of butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate?
butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 60903928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).