2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one

C14H15N3O2 — CID 970755

IUPAC2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one
SMILESCn1nc(C(=O)N2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C14H15N3O2/c1-16-13(18)11-7-3-2-6-10(11)12(15-16)14(19)17-8-4-5-9-17/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyDRFBTASVUDMPCG-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.17
Rot. Bonds1

About 2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one

2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one (PubChem CID 970755) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one
PubChem CID970755
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one
SMILESCn1nc(C(=O)N2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C14H15N3O2/c1-16-13(18)11-7-3-2-6-10(11)12(15-16)14(19)17-8-4-5-9-17/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyDRFBTASVUDMPCG-UHFFFAOYSA-N
XLogP1.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one?
The IUPAC name of 2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one (CID 970755) is 2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one is Cn1nc(C(=O)N2CCCC2)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one?
The InChIKey is DRFBTASVUDMPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16-13(18)11-7-3-2-6-10(11)12(15-16)14(19)17-8-4-5-9-17/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one?
2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one has a molecular weight of 257.29 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pyrrolidine-1-carbonyl)phthalazin-1-one is sourced from PubChem (CID 970755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).