5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one

C13H21N5O — CID 53300811

IUPAC5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1C1CC1
InChIInChI=1S/C13H21N5O/c1-3-4-9-17-12(14-15-16-17)13(2)8-7-11(19)18(13)10-5-6-10/h10H,3-9H2,1-2H3
InChIKeySEIGCKDMGAMFRU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.47
Rot. Bonds5

About 5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one

5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one (PubChem CID 53300811) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one
PubChem CID53300811
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1C1CC1
InChIInChI=1S/C13H21N5O/c1-3-4-9-17-12(14-15-16-17)13(2)8-7-11(19)18(13)10-5-6-10/h10H,3-9H2,1-2H3
InChIKeySEIGCKDMGAMFRU-UHFFFAOYSA-N
XLogP1.47
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one (CID 53300811) is 5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one is CCCCn1nnnc1C1(C)CCC(=O)N1C1CC1.
What is the InChIKey of 5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one?
The InChIKey is SEIGCKDMGAMFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-4-9-17-12(14-15-16-17)13(2)8-7-11(19)18(13)10-5-6-10/h10H,3-9H2,1-2H3.
What are the key properties of 5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one?
5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).