(5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione

C16H24N4O3 — CID 125443774

IUPAC(5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)C1=O
InChIInChI=1S/C16H24N4O3/c1-2-5-19-15(22)11(18-16(19)23)6-14(21)20-12-3-4-13(20)10-8-17-7-9(10)12/h9-13,17H,2-8H2,1H3,(H,18,23)/t9-,10+,11-,12-,13+/m1/s1
InChIKeyRNVRNTBFKSWBEQ-MLGHIDQZSA-N
MW320.39 g/mol
LogP-0.08
Rot. Bonds4

About (5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione

(5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione (PubChem CID 125443774) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
PubChem CID125443774
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)C1=O
InChIInChI=1S/C16H24N4O3/c1-2-5-19-15(22)11(18-16(19)23)6-14(21)20-12-3-4-13(20)10-8-17-7-9(10)12/h9-13,17H,2-8H2,1H3,(H,18,23)/t9-,10+,11-,12-,13+/m1/s1
InChIKeyRNVRNTBFKSWBEQ-MLGHIDQZSA-N
XLogP-0.08
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione (CID 125443774) is (5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)C1=O.
What is the InChIKey of (5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The InChIKey is RNVRNTBFKSWBEQ-MLGHIDQZSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-2-5-19-15(22)11(18-16(19)23)6-14(21)20-12-3-4-13(20)10-8-17-7-9(10)12/h9-13,17H,2-8H2,1H3,(H,18,23)/t9-,10+,11-,12-,13+/m1/s1.
What are the key properties of (5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
(5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione has a molecular weight of 320.39 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 125443774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).