5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one

C18H25N5O2 — CID 53300767

IUPAC5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C18H25N5O2/c1-4-5-12-23-17(19-20-21-23)18(2)11-10-16(24)22(18)13-14-6-8-15(25-3)9-7-14/h6-9H,4-5,10-13H2,1-3H3
InChIKeyNDSOGIWKODGFFD-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.52
Rot. Bonds7

About 5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one

5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 53300767) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
PubChem CID53300767
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C18H25N5O2/c1-4-5-12-23-17(19-20-21-23)18(2)11-10-16(24)22(18)13-14-6-8-15(25-3)9-7-14/h6-9H,4-5,10-13H2,1-3H3
InChIKeyNDSOGIWKODGFFD-UHFFFAOYSA-N
XLogP2.52
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one (CID 53300767) is 5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one is CCCCn1nnnc1C1(C)CCC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of 5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is NDSOGIWKODGFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-5-12-23-17(19-20-21-23)18(2)11-10-16(24)22(18)13-14-6-8-15(25-3)9-7-14/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of 5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).