3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C16H17N3O2 — CID 4647043

IUPAC3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCc1ccc(C2N(c3ccccn3)C(=O)C3CCCN32)o1
InChIInChI=1S/C16H17N3O2/c1-11-7-8-13(21-11)15-18-10-4-5-12(18)16(20)19(15)14-6-2-3-9-17-14/h2-3,6-9,12,15H,4-5,10H2,1H3
InChIKeyRRNTXRKLMPEVCW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.49
Rot. Bonds2

About 3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 4647043) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID4647043
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCc1ccc(C2N(c3ccccn3)C(=O)C3CCCN32)o1
InChIInChI=1S/C16H17N3O2/c1-11-7-8-13(21-11)15-18-10-4-5-12(18)16(20)19(15)14-6-2-3-9-17-14/h2-3,6-9,12,15H,4-5,10H2,1H3
InChIKeyRRNTXRKLMPEVCW-UHFFFAOYSA-N
XLogP2.49
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 4647043) is 3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is Cc1ccc(C2N(c3ccccn3)C(=O)C3CCCN32)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is RRNTXRKLMPEVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-7-8-13(21-11)15-18-10-4-5-12(18)16(20)19(15)14-6-2-3-9-17-14/h2-3,6-9,12,15H,4-5,10H2,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 283.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 4647043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).