2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide

C15H25N3O — CID 124749240

IUPAC2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCN2CCC[C@H]2C1
InChIInChI=1S/C15H25N3O/c1-3-7-18(8-4-2)15(19)13-16-10-11-17-9-5-6-14(17)12-16/h3-4,14H,1-2,5-13H2/t14-/m0/s1
InChIKeyACJRKZWBHZVBTI-AWEZNQCLSA-N
MW263.38 g/mol
LogP0.97
Rot. Bonds6

About 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide

2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 124749240) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID124749240
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCN2CCC[C@H]2C1
InChIInChI=1S/C15H25N3O/c1-3-7-18(8-4-2)15(19)13-16-10-11-17-9-5-6-14(17)12-16/h3-4,14H,1-2,5-13H2/t14-/m0/s1
InChIKeyACJRKZWBHZVBTI-AWEZNQCLSA-N
XLogP0.97
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide with MolForge

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Related Compounds

2-[4-(azetidin-3-yl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 66201413
2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 62656728
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94158736
2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 62546166
1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 50983691
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N,N-diethylacetamide
CID 95616410
2-(2-methylprop-2-enyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115674890
methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037821
2-(4-aminopiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 43556819
ethyl (3R)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 81338286
2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 50974093
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 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide (CID 124749240) is 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCN2CCC[C@H]2C1.
What is the InChIKey of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is ACJRKZWBHZVBTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-7-18(8-4-2)15(19)13-16-10-11-17-9-5-6-14(17)12-16/h3-4,14H,1-2,5-13H2/t14-/m0/s1.
What are the key properties of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 124749240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).