benzene;1-pyrrolidin-1-ylethanone

C12H17NO — CID 159708623

IUPACbenzene;1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCCC1.c1ccccc1
InChIInChI=1S/C6H11NO.C6H6/c1-6(8)7-4-2-3-5-7;1-2-4-6-5-3-1/h2-5H2,1H3;1-6H
InChIKeyMYNVNAWHIGOPDE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.32
Rot. Bonds

About benzene;1-pyrrolidin-1-ylethanone

benzene;1-pyrrolidin-1-ylethanone (PubChem CID 159708623) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is benzene;1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Namebenzene;1-pyrrolidin-1-ylethanone
PubChem CID159708623
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namebenzene;1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCCC1.c1ccccc1
InChIInChI=1S/C6H11NO.C6H6/c1-6(8)7-4-2-3-5-7;1-2-4-6-5-3-1/h2-5H2,1H3;1-6H
InChIKeyMYNVNAWHIGOPDE-UHFFFAOYSA-N
XLogP2.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;1-pyrrolidin-1-ylethanone?
The IUPAC name of benzene;1-pyrrolidin-1-ylethanone (CID 159708623) is benzene;1-pyrrolidin-1-ylethanone.
What is the SMILES notation for benzene;1-pyrrolidin-1-ylethanone?
The canonical SMILES for benzene;1-pyrrolidin-1-ylethanone is CC(=O)N1CCCC1.c1ccccc1.
What is the InChIKey of benzene;1-pyrrolidin-1-ylethanone?
The InChIKey is MYNVNAWHIGOPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C6H6/c1-6(8)7-4-2-3-5-7;1-2-4-6-5-3-1/h2-5H2,1H3;1-6H.
What are the key properties of benzene;1-pyrrolidin-1-ylethanone?
benzene;1-pyrrolidin-1-ylethanone has a molecular weight of 191.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 159708623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).