6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one

C19H20N4O2 — CID 110114854

IUPAC6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCCC1c1ccnc(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c24-18(8-7-13-12-21-15-5-2-1-4-14(13)15)23-11-3-6-17(23)16-9-10-20-19(25)22-16/h1-2,4-5,9-10,12,17,21H,3,6-8,11H2,(H,20,22,25)
InChIKeyBJPQHEKWZITCMV-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.55
Rot. Bonds4

About 6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one

6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one (PubChem CID 110114854) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
PubChem CID110114854
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCCC1c1ccnc(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c24-18(8-7-13-12-21-15-5-2-1-4-14(13)15)23-11-3-6-17(23)16-9-10-20-19(25)22-16/h1-2,4-5,9-10,12,17,21H,3,6-8,11H2,(H,20,22,25)
InChIKeyBJPQHEKWZITCMV-UHFFFAOYSA-N
XLogP2.55
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one (CID 110114854) is 6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one is O=C(CCc1c[nH]c2ccccc12)N1CCCC1c1ccnc(=O)[nH]1.
What is the InChIKey of 6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The InChIKey is BJPQHEKWZITCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(8-7-13-12-21-15-5-2-1-4-14(13)15)23-11-3-6-17(23)16-9-10-20-19(25)22-16/h1-2,4-5,9-10,12,17,21H,3,6-8,11H2,(H,20,22,25).
What are the key properties of 6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one?
6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one has a molecular weight of 336.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 110114854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).