benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one

C23H31NO2 — CID 143373078

IUPACbenzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one
SMILESCC(COCC1CC1)N1CCCC1=O.c1ccccc1.c1ccccc1
InChIInChI=1S/C11H19NO2.2C6H6/c1-9(7-14-8-10-4-5-10)12-6-2-3-11(12)13;2*1-2-4-6-5-3-1/h9-10H,2-8H2,1H3;2*1-6H
InChIKeyISYANMPSLZQOJC-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.80
Rot. Bonds5

About benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one

benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one (PubChem CID 143373078) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Namebenzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one
PubChem CID143373078
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Namebenzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one
SMILESCC(COCC1CC1)N1CCCC1=O.c1ccccc1.c1ccccc1
InChIInChI=1S/C11H19NO2.2C6H6/c1-9(7-14-8-10-4-5-10)12-6-2-3-11(12)13;2*1-2-4-6-5-3-1/h9-10H,2-8H2,1H3;2*1-6H
InChIKeyISYANMPSLZQOJC-UHFFFAOYSA-N
XLogP4.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one?
The IUPAC name of benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one (CID 143373078) is benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one is CC(COCC1CC1)N1CCCC1=O.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one?
The InChIKey is ISYANMPSLZQOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.2C6H6/c1-9(7-14-8-10-4-5-10)12-6-2-3-11(12)13;2*1-2-4-6-5-3-1/h9-10H,2-8H2,1H3;2*1-6H.
What are the key properties of benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one?
benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one has a molecular weight of 353.51 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-[1-(cyclopropylmethoxy)propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 143373078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).