4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one

C14H25NO — CID 58045174

IUPAC4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one
SMILESCC1=C(C(C)C)C(C(C)C)N(C(C)C)C1=O
InChIInChI=1S/C14H25NO/c1-8(2)12-11(7)14(16)15(10(5)6)13(12)9(3)4/h8-10,13H,1-7H3
InChIKeyJQQZFNVMBVPNAE-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.23
Rot. Bonds3

About 4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one

4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one (PubChem CID 58045174) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one
PubChem CID58045174
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one
SMILESCC1=C(C(C)C)C(C(C)C)N(C(C)C)C1=O
InChIInChI=1S/C14H25NO/c1-8(2)12-11(7)14(16)15(10(5)6)13(12)9(3)4/h8-10,13H,1-7H3
InChIKeyJQQZFNVMBVPNAE-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one (CID 58045174) is 4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one is CC1=C(C(C)C)C(C(C)C)N(C(C)C)C1=O.
What is the InChIKey of 4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one?
The InChIKey is JQQZFNVMBVPNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-8(2)12-11(7)14(16)15(10(5)6)13(12)9(3)4/h8-10,13H,1-7H3.
What are the key properties of 4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one?
4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one has a molecular weight of 223.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 58045174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).