[2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

C20H30N2O — CID 171146691

IUPAC[2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESCCCCN1CC2CN(CC=Cc3ccccc3)CC2(CO)C1
InChIInChI=1S/C20H30N2O/c1-2-3-11-21-13-19-14-22(16-20(19,15-21)17-23)12-7-10-18-8-5-4-6-9-18/h4-10,19,23H,2-3,11-17H2,1H3
InChIKeyADALKOZYCBRFFH-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.73
Rot. Bonds7

About [2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

[2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 171146691) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is [2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
PubChem CID171146691
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name[2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESCCCCN1CC2CN(CC=Cc3ccccc3)CC2(CO)C1
InChIInChI=1S/C20H30N2O/c1-2-3-11-21-13-19-14-22(16-20(19,15-21)17-23)12-7-10-18-8-5-4-6-9-18/h4-10,19,23H,2-3,11-17H2,1H3
InChIKeyADALKOZYCBRFFH-UHFFFAOYSA-N
XLogP2.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol with MolForge

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Related Compounds

1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
(3aR,6aR)-5-methylsulfonyl-2-[(E)-3-phenylprop-2-enyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72839036
[(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 97143432
1-[3-(3-phenylprop-2-enyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 54472688
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
CID 6140077
2-[(2S)-1-(2-methylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 29029378
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35179874
2-[(E)-3-phenylprop-2-enyl]-2-azaspiro[3.3]heptane
CID 130375967
(E)-1-[2-[(1-ethylpyrazol-4-yl)methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-phenylprop-2-en-1-one
CID 138379667
1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 92898605
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097

Frequently Asked Questions

What is the IUPAC name of [2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (CID 171146691) is [2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is CCCCN1CC2CN(CC=Cc3ccccc3)CC2(CO)C1.
What is the InChIKey of [2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is ADALKOZYCBRFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-3-11-21-13-19-14-22(16-20(19,15-21)17-23)12-7-10-18-8-5-4-6-9-18/h4-10,19,23H,2-3,11-17H2,1H3.
What are the key properties of [2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
[2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 314.47 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-5-(3-phenylprop-2-enyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 171146691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).