3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide

C16H22N2O2 — CID 107222234

IUPAC3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCNC1
InChIInChI=1S/C16H22N2O2/c1-2-16(7-8-17-10-16)15(20)18-14-12-6-4-3-5-11(12)9-13(14)19/h3-6,13-14,17,19H,2,7-10H2,1H3,(H,18,20)/t13-,14+,16?/m0/s1
InChIKeyOLXKJXSTDYBYJF-NNKZFNQJSA-N
MW274.36 g/mol
LogP1.15
Rot. Bonds3

About 3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide

3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide (PubChem CID 107222234) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide
PubChem CID107222234
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCNC1
InChIInChI=1S/C16H22N2O2/c1-2-16(7-8-17-10-16)15(20)18-14-12-6-4-3-5-11(12)9-13(14)19/h3-6,13-14,17,19H,2,7-10H2,1H3,(H,18,20)/t13-,14+,16?/m0/s1
InChIKeyOLXKJXSTDYBYJF-NNKZFNQJSA-N
XLogP1.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107221780
1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 107222320
1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
CID 107221819
1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
CID 107221770
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide
CID 107221873
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
4-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103950748
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
3-ethyl-N-(3-hydroxycyclohexyl)pyrrolidine-3-carboxamide
CID 55166675
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide (CID 107222234) is 3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide is CCC1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCNC1.
What is the InChIKey of 3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide?
The InChIKey is OLXKJXSTDYBYJF-NNKZFNQJSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-16(7-8-17-10-16)15(20)18-14-12-6-4-3-5-11(12)9-13(14)19/h3-6,13-14,17,19H,2,7-10H2,1H3,(H,18,20)/t13-,14+,16?/m0/s1.
What are the key properties of 3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide?
3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 107222234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).