N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide

C14H11NO3 — CID 25271271

IUPACN-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@H]1COC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H11NO3/c16-13(15-12-8-18-14(12)17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2,(H,15,16)/t12-/m0/s1
InChIKeyTZJSJMLTEDDSKK-LBPRGKRZSA-N
MW241.25 g/mol
LogP1.50
Rot. Bonds2

About N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide

N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide (PubChem CID 25271271) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide
PubChem CID25271271
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC NameN-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@H]1COC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H11NO3/c16-13(15-12-8-18-14(12)17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2,(H,15,16)/t12-/m0/s1
InChIKeyTZJSJMLTEDDSKK-LBPRGKRZSA-N
XLogP1.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide (CID 25271271) is N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide is O=C(N[C@H]1COC1=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide?
The InChIKey is TZJSJMLTEDDSKK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H11NO3/c16-13(15-12-8-18-14(12)17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2,(H,15,16)/t12-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide?
N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 25271271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).