methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate

C14H24N2O2 — CID 116999394

IUPACmethyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CN2CCN3CCCC3C2)CCC1
InChIInChI=1S/C14H24N2O2/c1-18-13(17)14(5-3-6-14)11-15-8-9-16-7-2-4-12(16)10-15/h12H,2-11H2,1H3
InChIKeyIFPCUDXMVGIWSB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.11
Rot. Bonds3

About methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate

methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate (PubChem CID 116999394) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate
PubChem CID116999394
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Namemethyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CN2CCN3CCCC3C2)CCC1
InChIInChI=1S/C14H24N2O2/c1-18-13(17)14(5-3-6-14)11-15-8-9-16-7-2-4-12(16)10-15/h12H,2-11H2,1H3
InChIKeyIFPCUDXMVGIWSB-UHFFFAOYSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate with MolForge

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclopropane-1-carboxylic acid
CID 116999387
2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 107094604
2-[(1-methylcyclopentyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939110
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-amine
CID 79943257
methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate
CID 139515865
methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate
CID 95154053
methyl 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylate
CID 116991383
2-[(1-ethylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114124886
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylbutan-1-amine
CID 79943415
2-[(2-methylpyrrolidin-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934869
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylmethanamine
CID 116999372
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-cyclopropylacetamide
CID 51618982

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate (CID 116999394) is methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate is COC(=O)C1(CN2CCN3CCCC3C2)CCC1.
What is the InChIKey of methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate?
The InChIKey is IFPCUDXMVGIWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-18-13(17)14(5-3-6-14)11-15-8-9-16-7-2-4-12(16)10-15/h12H,2-11H2,1H3.
What are the key properties of methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate?
methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 116999394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).