1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one

C14H25N5O — CID 126684345

IUPAC1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one
SMILESCn1nnnc1C(C)(C)CC1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C14H25N5O/c1-13(2,3)19-9-10(7-11(19)20)8-14(4,5)12-15-16-17-18(12)6/h10H,7-9H2,1-6H3
InChIKeyJYWJVIGCMKXRMF-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.52
Rot. Bonds3

About 1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one

1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one (PubChem CID 126684345) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one
PubChem CID126684345
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one
SMILESCn1nnnc1C(C)(C)CC1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C14H25N5O/c1-13(2,3)19-9-10(7-11(19)20)8-14(4,5)12-15-16-17-18(12)6/h10H,7-9H2,1-6H3
InChIKeyJYWJVIGCMKXRMF-UHFFFAOYSA-N
XLogP1.52
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one (CID 126684345) is 1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one is Cn1nnnc1C(C)(C)CC1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one?
The InChIKey is JYWJVIGCMKXRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-13(2,3)19-9-10(7-11(19)20)8-14(4,5)12-15-16-17-18(12)6/h10H,7-9H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one?
1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one has a molecular weight of 279.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 126684345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).