benzyl benzoate;pyrrolidin-2-one

C18H19NO3 — CID 159513468

IUPACbenzyl benzoate;pyrrolidin-2-one
SMILESO=C(OCc1ccccc1)c1ccccc1.O=C1CCCN1
InChIInChI=1S/C14H12O2.C4H7NO/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;6-4-2-1-3-5-4/h1-10H,11H2;1-3H2,(H,5,6)
InChIKeyMAWVTLCRXNEAAL-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.94
Rot. Bonds3

About benzyl benzoate;pyrrolidin-2-one

benzyl benzoate;pyrrolidin-2-one (PubChem CID 159513468) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl benzoate;pyrrolidin-2-one.

Molecular Properties

Compound Namebenzyl benzoate;pyrrolidin-2-one
PubChem CID159513468
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl benzoate;pyrrolidin-2-one
SMILESO=C(OCc1ccccc1)c1ccccc1.O=C1CCCN1
InChIInChI=1S/C14H12O2.C4H7NO/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;6-4-2-1-3-5-4/h1-10H,11H2;1-3H2,(H,5,6)
InChIKeyMAWVTLCRXNEAAL-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl benzoate
CID 2345
benzyl acetate;benzyl benzoate
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benzyl benzoate;2-phenylacetic acid
CID 70386781
benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 17454076
benzene-1,3-dicarboxylic acid;pyrrolidin-2-one
CID 174301063
benzyl carbamate;piperidine-2,6-dione
CID 174491425
2,3,4,5-tetrahydro-1H-azepin-7-ylmethyl benzoate
CID 101154394
benzyl 2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxylate
CID 155410093
benzyl 4-acetylbenzoate
CID 590101
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl 4-bromobenzoate
CID 603177
benzyl 2-bromoacetate;benzyl 2-(2-oxopiperidin-1-yl)acetate;piperidin-2-one
CID 157206751

Frequently Asked Questions

What is the IUPAC name of benzyl benzoate;pyrrolidin-2-one?
The IUPAC name of benzyl benzoate;pyrrolidin-2-one (CID 159513468) is benzyl benzoate;pyrrolidin-2-one.
What is the SMILES notation for benzyl benzoate;pyrrolidin-2-one?
The canonical SMILES for benzyl benzoate;pyrrolidin-2-one is O=C(OCc1ccccc1)c1ccccc1.O=C1CCCN1.
What is the InChIKey of benzyl benzoate;pyrrolidin-2-one?
The InChIKey is MAWVTLCRXNEAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C4H7NO/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;6-4-2-1-3-5-4/h1-10H,11H2;1-3H2,(H,5,6).
What are the key properties of benzyl benzoate;pyrrolidin-2-one?
benzyl benzoate;pyrrolidin-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl benzoate;pyrrolidin-2-one is sourced from PubChem (CID 159513468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).