N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide

C15H19NO3 — CID 91631196

IUPACN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(O)Cc2ccccc2C1)C1CCOC1
InChIInChI=1S/C15H19NO3/c17-14(13-5-6-19-9-13)16-10-15(18)7-11-3-1-2-4-12(11)8-15/h1-4,13,18H,5-10H2,(H,16,17)
InChIKeyPCBGAAUMWISMIK-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.67
Rot. Bonds3

About N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide

N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide (PubChem CID 91631196) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide
PubChem CID91631196
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(O)Cc2ccccc2C1)C1CCOC1
InChIInChI=1S/C15H19NO3/c17-14(13-5-6-19-9-13)16-10-15(18)7-11-3-1-2-4-12(11)8-15/h1-4,13,18H,5-10H2,(H,16,17)
InChIKeyPCBGAAUMWISMIK-UHFFFAOYSA-N
XLogP0.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide (CID 91631196) is N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide is O=C(NCC1(O)Cc2ccccc2C1)C1CCOC1.
What is the InChIKey of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide?
The InChIKey is PCBGAAUMWISMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(13-5-6-19-9-13)16-10-15(18)7-11-3-1-2-4-12(11)8-15/h1-4,13,18H,5-10H2,(H,16,17).
What are the key properties of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide?
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 91631196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).