ethane;5-methanimidoyloxolan-2-one

C7H13NO2 — CID 143824508

IUPACethane;5-methanimidoyloxolan-2-one
SMILESCC.[H]/N=C/C1CCC(=O)O1
InChIInChI=1S/C5H7NO2.C2H6/c6-3-4-1-2-5(7)8-4;1-2/h3-4,6H,1-2H2;1-2H3/b6-3+;
InChIKeyQQKFCFVZWQBLFX-ZIKNSQGESA-N
MW143.19 g/mol
LogP1.37
Rot. Bonds1

About ethane;5-methanimidoyloxolan-2-one

ethane;5-methanimidoyloxolan-2-one (PubChem CID 143824508) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethane;5-methanimidoyloxolan-2-one.

Molecular Properties

Compound Nameethane;5-methanimidoyloxolan-2-one
PubChem CID143824508
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethane;5-methanimidoyloxolan-2-one
SMILESCC.[H]/N=C/C1CCC(=O)O1
InChIInChI=1S/C5H7NO2.C2H6/c6-3-4-1-2-5(7)8-4;1-2/h3-4,6H,1-2H2;1-2H3/b6-3+;
InChIKeyQQKFCFVZWQBLFX-ZIKNSQGESA-N
XLogP1.37
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-[(Z)-but-1-enyl]oxolan-2-one
CID 163092536
2-methyl-3-(5-oxooxolan-2-yl)prop-2-enoic acid
CID 66720876
methyl (E)-2-methyl-3-(5-oxooxolan-2-yl)prop-2-enoate
CID 57482875
5-methyloxolan-2-one
CID 69397003
5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one
CID 102276987
ethane;5-(hydroxymethyl)oxolan-2-one
CID 142985862
5-[(E)-2-methyl-3-phenylprop-1-enyl]oxolan-2-one
CID 102259695
5-iodooxolan-2-one
CID 89119315
(5R,6R)-5-ethenyl-6-methyloxan-2-one
CID 11320973
acetyl-dimethyl-(5-oxooxolan-2-yl)azanium
CID 67737937
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496
(5R,6S)-5-iodo-6-methyloxan-2-one
CID 134865447

Frequently Asked Questions

What is the IUPAC name of ethane;5-methanimidoyloxolan-2-one?
The IUPAC name of ethane;5-methanimidoyloxolan-2-one (CID 143824508) is ethane;5-methanimidoyloxolan-2-one.
What is the SMILES notation for ethane;5-methanimidoyloxolan-2-one?
The canonical SMILES for ethane;5-methanimidoyloxolan-2-one is CC.[H]/N=C/C1CCC(=O)O1.
What is the InChIKey of ethane;5-methanimidoyloxolan-2-one?
The InChIKey is QQKFCFVZWQBLFX-ZIKNSQGESA-N. The full InChI is InChI=1S/C5H7NO2.C2H6/c6-3-4-1-2-5(7)8-4;1-2/h3-4,6H,1-2H2;1-2H3/b6-3+;.
What are the key properties of ethane;5-methanimidoyloxolan-2-one?
ethane;5-methanimidoyloxolan-2-one has a molecular weight of 143.19 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methanimidoyloxolan-2-one is sourced from PubChem (CID 143824508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).