1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one

C16H26N4O2 — CID 95285675

IUPAC1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
SMILESCc1cnn(C[C@H]2CN(CCCN3CCCC3=O)CCO2)c1
InChIInChI=1S/C16H26N4O2/c1-14-10-17-20(11-14)13-15-12-18(8-9-22-15)5-3-7-19-6-2-4-16(19)21/h10-11,15H,2-9,12-13H2,1H3/t15-/m1/s1
InChIKeyICECHNXBNZIAKL-OAHLLOKOSA-N
MW306.41 g/mol
LogP0.90
Rot. Bonds6

About 1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one

1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one (PubChem CID 95285675) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
PubChem CID95285675
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
SMILESCc1cnn(C[C@H]2CN(CCCN3CCCC3=O)CCO2)c1
InChIInChI=1S/C16H26N4O2/c1-14-10-17-20(11-14)13-15-12-18(8-9-22-15)5-3-7-19-6-2-4-16(19)21/h10-11,15H,2-9,12-13H2,1H3/t15-/m1/s1
InChIKeyICECHNXBNZIAKL-OAHLLOKOSA-N
XLogP0.90
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one (CID 95285675) is 1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one is Cc1cnn(C[C@H]2CN(CCCN3CCCC3=O)CCO2)c1.
What is the InChIKey of 1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one?
The InChIKey is ICECHNXBNZIAKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-14-10-17-20(11-14)13-15-12-18(8-9-22-15)5-3-7-19-6-2-4-16(19)21/h10-11,15H,2-9,12-13H2,1H3/t15-/m1/s1.
What are the key properties of 1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one?
1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 95285675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).