2-butylaniline;pyrrolidin-2-one

C14H22N2O — CID 175394596

IUPAC2-butylaniline;pyrrolidin-2-one
SMILESCCCCc1ccccc1N.O=C1CCCN1
InChIInChI=1S/C10H15N.C4H7NO/c1-2-3-6-9-7-4-5-8-10(9)11;6-4-2-1-3-5-4/h4-5,7-8H,2-3,6,11H2,1H3;1-3H2,(H,5,6)
InChIKeyKRBXXMRCCJKQEB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.51
Rot. Bonds3

About 2-butylaniline;pyrrolidin-2-one

2-butylaniline;pyrrolidin-2-one (PubChem CID 175394596) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-butylaniline;pyrrolidin-2-one.

Molecular Properties

Compound Name2-butylaniline;pyrrolidin-2-one
PubChem CID175394596
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-butylaniline;pyrrolidin-2-one
SMILESCCCCc1ccccc1N.O=C1CCCN1
InChIInChI=1S/C10H15N.C4H7NO/c1-2-3-6-9-7-4-5-8-10(9)11;6-4-2-1-3-5-4/h4-5,7-8H,2-3,6,11H2,1H3;1-3H2,(H,5,6)
InChIKeyKRBXXMRCCJKQEB-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 175394564
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CID 90841248
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CID 22023756
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Frequently Asked Questions

What is the IUPAC name of 2-butylaniline;pyrrolidin-2-one?
The IUPAC name of 2-butylaniline;pyrrolidin-2-one (CID 175394596) is 2-butylaniline;pyrrolidin-2-one.
What is the SMILES notation for 2-butylaniline;pyrrolidin-2-one?
The canonical SMILES for 2-butylaniline;pyrrolidin-2-one is CCCCc1ccccc1N.O=C1CCCN1.
What is the InChIKey of 2-butylaniline;pyrrolidin-2-one?
The InChIKey is KRBXXMRCCJKQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C4H7NO/c1-2-3-6-9-7-4-5-8-10(9)11;6-4-2-1-3-5-4/h4-5,7-8H,2-3,6,11H2,1H3;1-3H2,(H,5,6).
What are the key properties of 2-butylaniline;pyrrolidin-2-one?
2-butylaniline;pyrrolidin-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylaniline;pyrrolidin-2-one is sourced from PubChem (CID 175394596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).