4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one

C9H14N4O — CID 130549123

IUPAC4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one
SMILESCC(C)n1cc(C2CNC(=O)C2)nn1
InChIInChI=1S/C9H14N4O/c1-6(2)13-5-8(11-12-13)7-3-9(14)10-4-7/h5-7H,3-4H2,1-2H3,(H,10,14)
InChIKeyNLNDRHAYMFUKDE-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.46
Rot. Bonds2

About 4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one

4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one (PubChem CID 130549123) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one
PubChem CID130549123
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one
SMILESCC(C)n1cc(C2CNC(=O)C2)nn1
InChIInChI=1S/C9H14N4O/c1-6(2)13-5-8(11-12-13)7-3-9(14)10-4-7/h5-7H,3-4H2,1-2H3,(H,10,14)
InChIKeyNLNDRHAYMFUKDE-UHFFFAOYSA-N
XLogP0.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one (CID 130549123) is 4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one is CC(C)n1cc(C2CNC(=O)C2)nn1.
What is the InChIKey of 4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one?
The InChIKey is NLNDRHAYMFUKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(2)13-5-8(11-12-13)7-3-9(14)10-4-7/h5-7H,3-4H2,1-2H3,(H,10,14).
What are the key properties of 4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one?
4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 130549123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).