N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide

C13H17NO2 — CID 2811036

IUPACN-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide
SMILESO=C(CCCO)NC1Cc2ccccc2C1
InChIInChI=1S/C13H17NO2/c15-7-3-6-13(16)14-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12,15H,3,6-9H2,(H,14,16)
InChIKeyLMTNHPKUXTWSKK-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.04
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide

N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide (PubChem CID 2811036) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide
PubChem CID2811036
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide
SMILESO=C(CCCO)NC1Cc2ccccc2C1
InChIInChI=1S/C13H17NO2/c15-7-3-6-13(16)14-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12,15H,3,6-9H2,(H,14,16)
InChIKeyLMTNHPKUXTWSKK-UHFFFAOYSA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide (CID 2811036) is N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide is O=C(CCCO)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide?
The InChIKey is LMTNHPKUXTWSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-7-3-6-13(16)14-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12,15H,3,6-9H2,(H,14,16).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide?
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide has a molecular weight of 219.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide is sourced from PubChem (CID 2811036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).