(7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione

C15H19N5O3 — CID 124883512

IUPAC(7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
SMILESCn1cc(N2CC[C@H](N3C(=O)N4CCC[C@]4(C)C3=O)C2=O)cn1
InChIInChI=1S/C15H19N5O3/c1-15-5-3-6-19(15)14(23)20(13(15)22)11-4-7-18(12(11)21)10-8-16-17(2)9-10/h8-9,11H,3-7H2,1-2H3/t11-,15+/m0/s1
InChIKeyKBIWOSKQWJBDIH-XHDPSFHLSA-N
MW317.35 g/mol
LogP0.34
Rot. Bonds2

About (7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione

(7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 124883512) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name(7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID124883512
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
SMILESCn1cc(N2CC[C@H](N3C(=O)N4CCC[C@]4(C)C3=O)C2=O)cn1
InChIInChI=1S/C15H19N5O3/c1-15-5-3-6-19(15)14(23)20(13(15)22)11-4-7-18(12(11)21)10-8-16-17(2)9-10/h8-9,11H,3-7H2,1-2H3/t11-,15+/m0/s1
InChIKeyKBIWOSKQWJBDIH-XHDPSFHLSA-N
XLogP0.34
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of (7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione (CID 124883512) is (7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for (7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for (7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione is Cn1cc(N2CC[C@H](N3C(=O)N4CCC[C@]4(C)C3=O)C2=O)cn1.
What is the InChIKey of (7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is KBIWOSKQWJBDIH-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-15-5-3-6-19(15)14(23)20(13(15)22)11-4-7-18(12(11)21)10-8-16-17(2)9-10/h8-9,11H,3-7H2,1-2H3/t11-,15+/m0/s1.
What are the key properties of (7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
(7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 317.35 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 124883512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).