5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one

C16H26N2O — CID 104687738

IUPAC5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one
SMILESCCCn1cccc1CC1(CC(C)C)CCC(=O)N1
InChIInChI=1S/C16H26N2O/c1-4-9-18-10-5-6-14(18)12-16(11-13(2)3)8-7-15(19)17-16/h5-6,10,13H,4,7-9,11-12H2,1-3H3,(H,17,19)
InChIKeyNMVUPYGDMQDPIO-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.14
Rot. Bonds6

About 5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one

5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one (PubChem CID 104687738) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one
PubChem CID104687738
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one
SMILESCCCn1cccc1CC1(CC(C)C)CCC(=O)N1
InChIInChI=1S/C16H26N2O/c1-4-9-18-10-5-6-14(18)12-16(11-13(2)3)8-7-15(19)17-16/h5-6,10,13H,4,7-9,11-12H2,1-3H3,(H,17,19)
InChIKeyNMVUPYGDMQDPIO-UHFFFAOYSA-N
XLogP3.14
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,3-dimethylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687622
5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687674
5-[(3-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687774
5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687921
5-[(3-bromo-4-chlorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687775
2-ethyl-1-propylpyrrole;hydrofluoride
CID 175874487
5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687733
5-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687753
5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one
CID 104687652
3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
5-ethyl-5-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-one
CID 104687511
5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 104687535

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one (CID 104687738) is 5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one is CCCn1cccc1CC1(CC(C)C)CCC(=O)N1.
What is the InChIKey of 5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is NMVUPYGDMQDPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-9-18-10-5-6-14(18)12-16(11-13(2)3)8-7-15(19)17-16/h5-6,10,13H,4,7-9,11-12H2,1-3H3,(H,17,19).
What are the key properties of 5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one?
5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 262.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).