ethanol;pyrrolidin-2-one;1,2-xylene

C14H23NO2 — CID 67627345

IUPACethanol;pyrrolidin-2-one;1,2-xylene
SMILESCCO.Cc1ccccc1C.O=C1CCCN1
InChIInChI=1S/C8H10.C4H7NO.C2H6O/c1-7-5-3-4-6-8(7)2;6-4-2-1-3-5-4;1-2-3/h3-6H,1-2H3;1-3H2,(H,5,6);3H,2H2,1H3
InChIKeyDTFFYJWCTDHAGT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.20
Rot. Bonds

About ethanol;pyrrolidin-2-one;1,2-xylene

ethanol;pyrrolidin-2-one;1,2-xylene (PubChem CID 67627345) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethanol;pyrrolidin-2-one;1,2-xylene.

Molecular Properties

Compound Nameethanol;pyrrolidin-2-one;1,2-xylene
PubChem CID67627345
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethanol;pyrrolidin-2-one;1,2-xylene
SMILESCCO.Cc1ccccc1C.O=C1CCCN1
InChIInChI=1S/C8H10.C4H7NO.C2H6O/c1-7-5-3-4-6-8(7)2;6-4-2-1-3-5-4;1-2-3/h3-6H,1-2H3;1-3H2,(H,5,6);3H,2H2,1H3
InChIKeyDTFFYJWCTDHAGT-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 69133402
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CID 174862990
hexadecane;pyrrolidin-2-one
CID 158475613
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Frequently Asked Questions

What is the IUPAC name of ethanol;pyrrolidin-2-one;1,2-xylene?
The IUPAC name of ethanol;pyrrolidin-2-one;1,2-xylene (CID 67627345) is ethanol;pyrrolidin-2-one;1,2-xylene.
What is the SMILES notation for ethanol;pyrrolidin-2-one;1,2-xylene?
The canonical SMILES for ethanol;pyrrolidin-2-one;1,2-xylene is CCO.Cc1ccccc1C.O=C1CCCN1.
What is the InChIKey of ethanol;pyrrolidin-2-one;1,2-xylene?
The InChIKey is DTFFYJWCTDHAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C4H7NO.C2H6O/c1-7-5-3-4-6-8(7)2;6-4-2-1-3-5-4;1-2-3/h3-6H,1-2H3;1-3H2,(H,5,6);3H,2H2,1H3.
What are the key properties of ethanol;pyrrolidin-2-one;1,2-xylene?
ethanol;pyrrolidin-2-one;1,2-xylene has a molecular weight of 237.34 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;pyrrolidin-2-one;1,2-xylene is sourced from PubChem (CID 67627345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).