benzene;cyclohexane;ethane;pyrrolidin-2-one

C22H43NO — CID 157259097

IUPACbenzene;cyclohexane;ethane;pyrrolidin-2-one
SMILESC1CCCCC1.CC.CC.CC.O=C1CCCN1.c1ccccc1
InChIInChI=1S/C6H12.C6H6.C4H7NO.3C2H6/c2*1-2-4-6-5-3-1;6-4-2-1-3-5-4;3*1-2/h1-6H2;1-6H;1-3H2,(H,5,6);3*1-2H3
InChIKeyAXGAZZXWUSLYGR-UHFFFAOYSA-N
MW337.59 g/mol
LogP7.00
Rot. Bonds

About benzene;cyclohexane;ethane;pyrrolidin-2-one

benzene;cyclohexane;ethane;pyrrolidin-2-one (PubChem CID 157259097) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is benzene;cyclohexane;ethane;pyrrolidin-2-one.

Molecular Properties

Compound Namebenzene;cyclohexane;ethane;pyrrolidin-2-one
PubChem CID157259097
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Namebenzene;cyclohexane;ethane;pyrrolidin-2-one
SMILESC1CCCCC1.CC.CC.CC.O=C1CCCN1.c1ccccc1
InChIInChI=1S/C6H12.C6H6.C4H7NO.3C2H6/c2*1-2-4-6-5-3-1;6-4-2-1-3-5-4;3*1-2/h1-6H2;1-6H;1-3H2,(H,5,6);3*1-2H3
InChIKeyAXGAZZXWUSLYGR-UHFFFAOYSA-N
XLogP7.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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ethene;pyrrolidin-2-one
CID 18949514
ethene;bis(pyrrolidin-2-one)
CID 67822125
azocan-2-one
CID 12657
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CID 102100276

Frequently Asked Questions

What is the IUPAC name of benzene;cyclohexane;ethane;pyrrolidin-2-one?
The IUPAC name of benzene;cyclohexane;ethane;pyrrolidin-2-one (CID 157259097) is benzene;cyclohexane;ethane;pyrrolidin-2-one.
What is the SMILES notation for benzene;cyclohexane;ethane;pyrrolidin-2-one?
The canonical SMILES for benzene;cyclohexane;ethane;pyrrolidin-2-one is C1CCCCC1.CC.CC.CC.O=C1CCCN1.c1ccccc1.
What is the InChIKey of benzene;cyclohexane;ethane;pyrrolidin-2-one?
The InChIKey is AXGAZZXWUSLYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C6H6.C4H7NO.3C2H6/c2*1-2-4-6-5-3-1;6-4-2-1-3-5-4;3*1-2/h1-6H2;1-6H;1-3H2,(H,5,6);3*1-2H3.
What are the key properties of benzene;cyclohexane;ethane;pyrrolidin-2-one?
benzene;cyclohexane;ethane;pyrrolidin-2-one has a molecular weight of 337.59 g/mol, XLogP of 7.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclohexane;ethane;pyrrolidin-2-one is sourced from PubChem (CID 157259097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).