2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C16H17NO3 — CID 25015044

IUPAC2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(CC1=CC=CC2C=CC=CC12)N[C@H]1CCOC1=O
InChIInChI=1S/C16H17NO3/c18-15(17-14-8-9-20-16(14)19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,11,13-14H,8-10H2,(H,17,18)/t11?,13?,14-/m0/s1
InChIKeyYMLUCFVYYWSRFB-UBHUBRDASA-N
MW271.32 g/mol
LogP1.66
Rot. Bonds3

About 2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 25015044) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID25015044
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(CC1=CC=CC2C=CC=CC12)N[C@H]1CCOC1=O
InChIInChI=1S/C16H17NO3/c18-15(17-14-8-9-20-16(14)19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,11,13-14H,8-10H2,(H,17,18)/t11?,13?,14-/m0/s1
InChIKeyYMLUCFVYYWSRFB-UBHUBRDASA-N
XLogP1.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 25015044) is 2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(CC1=CC=CC2C=CC=CC12)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is YMLUCFVYYWSRFB-UBHUBRDASA-N. The full InChI is InChI=1S/C16H17NO3/c18-15(17-14-8-9-20-16(14)19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,11,13-14H,8-10H2,(H,17,18)/t11?,13?,14-/m0/s1.
What are the key properties of 2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 25015044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).