butylbenzene;pyrrolidin-2-one

C14H21NO — CID 175394564

IUPACbutylbenzene;pyrrolidin-2-one
SMILESCCCCc1ccccc1.O=C1CCCN1
InChIInChI=1S/C10H14.C4H7NO/c1-2-3-7-10-8-5-4-6-9-10;6-4-2-1-3-5-4/h4-6,8-9H,2-3,7H2,1H3;1-3H2,(H,5,6)
InChIKeyQPGRMXHSYYFDIJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.93
Rot. Bonds3

About butylbenzene;pyrrolidin-2-one

butylbenzene;pyrrolidin-2-one (PubChem CID 175394564) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is butylbenzene;pyrrolidin-2-one.

Molecular Properties

Compound Namebutylbenzene;pyrrolidin-2-one
PubChem CID175394564
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Namebutylbenzene;pyrrolidin-2-one
SMILESCCCCc1ccccc1.O=C1CCCN1
InChIInChI=1S/C10H14.C4H7NO/c1-2-3-7-10-8-5-4-6-9-10;6-4-2-1-3-5-4/h4-6,8-9H,2-3,7H2,1H3;1-3H2,(H,5,6)
InChIKeyQPGRMXHSYYFDIJ-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butylbenzene;pyrrolidin-2-one?
The IUPAC name of butylbenzene;pyrrolidin-2-one (CID 175394564) is butylbenzene;pyrrolidin-2-one.
What is the SMILES notation for butylbenzene;pyrrolidin-2-one?
The canonical SMILES for butylbenzene;pyrrolidin-2-one is CCCCc1ccccc1.O=C1CCCN1.
What is the InChIKey of butylbenzene;pyrrolidin-2-one?
The InChIKey is QPGRMXHSYYFDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C4H7NO/c1-2-3-7-10-8-5-4-6-9-10;6-4-2-1-3-5-4/h4-6,8-9H,2-3,7H2,1H3;1-3H2,(H,5,6).
What are the key properties of butylbenzene;pyrrolidin-2-one?
butylbenzene;pyrrolidin-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylbenzene;pyrrolidin-2-one is sourced from PubChem (CID 175394564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).