(4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone

C25H35N3O — CID 123508845

About (4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone

(4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone (PubChem CID 123508845) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is (4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: (4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone
• PubChem CID: 123508845
• Molecular Formula: C25H35N3O
• Molecular Weight: 393.58 g/mol
• Exact Mass: 393.28
• IUPAC Name: (4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone
• SMILES: C=C(C)C1=CCC2N1CCN(C)C21CCN(C(=O)C2=CC=C(C3CC3)CC2)CC1
• InChI: InChI=1S/C25H35N3O/c1-18(2)22-10-11-23-25(26(3)16-17-28(22)23)12-14-27(15-13-25)24(29)21-8-6-20(7-9-21)19-4-5-19/h6,8,10,19,23H,1,4-5,7,9,11-17H2,2-3H3
• InChIKey: UWDHYEZKJNPJHR-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 26.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.58
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone?

The IUPAC name of (4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone (CID 123508845) is (4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone.

What is the SMILES notation for (4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone?

The canonical SMILES for (4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone is C=C(C)C1=CCC2N1CCN(C)C21CCN(C(=O)C2=CC=C(C3CC3)CC2)CC1.

What is the InChIKey of (4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone?

The InChIKey is UWDHYEZKJNPJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-18(2)22-10-11-23-25(26(3)16-17-28(22)23)12-14-27(15-13-25)24(29)21-8-6-20(7-9-21)19-4-5-19/h6,8,10,19,23H,1,4-5,7,9,11-17H2,2-3H3.

What are the key properties of (4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone?

(4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone has a molecular weight of 393.58 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4-cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 123508845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).