N-(2-methylideneoxolan-3-yl)acetamide;hydrate

C7H13NO3 — CID 142000314

IUPACN-(2-methylideneoxolan-3-yl)acetamide;hydrate
SMILESC=C1OCCC1NC(C)=O.O
InChIInChI=1S/C7H11NO2.H2O/c1-5-7(3-4-10-5)8-6(2)9;/h7H,1,3-4H2,2H3,(H,8,9);1H2
InChIKeyZEZJPHFGSCWEOK-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.40
Rot. Bonds1

About N-(2-methylideneoxolan-3-yl)acetamide;hydrate

N-(2-methylideneoxolan-3-yl)acetamide;hydrate (PubChem CID 142000314) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-(2-methylideneoxolan-3-yl)acetamide;hydrate.

Molecular Properties

Compound NameN-(2-methylideneoxolan-3-yl)acetamide;hydrate
PubChem CID142000314
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-(2-methylideneoxolan-3-yl)acetamide;hydrate
SMILESC=C1OCCC1NC(C)=O.O
InChIInChI=1S/C7H11NO2.H2O/c1-5-7(3-4-10-5)8-6(2)9;/h7H,1,3-4H2,2H3,(H,8,9);1H2
InChIKeyZEZJPHFGSCWEOK-UHFFFAOYSA-N
XLogP-0.40
TPSA69.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylideneoxolan-3-yl)acetamide;hydrate?
The IUPAC name of N-(2-methylideneoxolan-3-yl)acetamide;hydrate (CID 142000314) is N-(2-methylideneoxolan-3-yl)acetamide;hydrate.
What is the SMILES notation for N-(2-methylideneoxolan-3-yl)acetamide;hydrate?
The canonical SMILES for N-(2-methylideneoxolan-3-yl)acetamide;hydrate is C=C1OCCC1NC(C)=O.O.
What is the InChIKey of N-(2-methylideneoxolan-3-yl)acetamide;hydrate?
The InChIKey is ZEZJPHFGSCWEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.H2O/c1-5-7(3-4-10-5)8-6(2)9;/h7H,1,3-4H2,2H3,(H,8,9);1H2.
What are the key properties of N-(2-methylideneoxolan-3-yl)acetamide;hydrate?
N-(2-methylideneoxolan-3-yl)acetamide;hydrate has a molecular weight of 159.18 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylideneoxolan-3-yl)acetamide;hydrate is sourced from PubChem (CID 142000314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).