N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C16H22N2O2 — CID 62014172

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1CO)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22N2O2/c19-11-15-5-2-8-18(15)10-16(20)17-14-7-6-12-3-1-4-13(12)9-14/h6-7,9,15,19H,1-5,8,10-11H2,(H,17,20)
InChIKeyVFZXRYQWMSXYGS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.57
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 62014172) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID62014172
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1CO)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22N2O2/c19-11-15-5-2-8-18(15)10-16(20)17-14-7-6-12-3-1-4-13(12)9-14/h6-7,9,15,19H,1-5,8,10-11H2,(H,17,20)
InChIKeyVFZXRYQWMSXYGS-UHFFFAOYSA-N
XLogP1.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684923
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
N-(3,5-difluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942185
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496286
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 91838658
N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 22447957
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 62014172) is N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1CO)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is VFZXRYQWMSXYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-11-15-5-2-8-18(15)10-16(20)17-14-7-6-12-3-1-4-13(12)9-14/h6-7,9,15,19H,1-5,8,10-11H2,(H,17,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 62014172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).