cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol

C15H26N2O — CID 129190716

IUPACcyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol
SMILESCN1CC=C([C@@H]2CCCN2C(O)C2CCC2)CC1
InChIInChI=1S/C15H26N2O/c1-16-10-7-12(8-11-16)14-6-3-9-17(14)15(18)13-4-2-5-13/h7,13-15,18H,2-6,8-11H2,1H3/t14-,15?/m0/s1
InChIKeyIDHAVFNPXSVRHT-MLCCFXAWSA-N
MW250.39 g/mol
LogP1.83
Rot. Bonds3

About cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol

cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol (PubChem CID 129190716) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol.

Molecular Properties

Compound Namecyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol
PubChem CID129190716
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Namecyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol
SMILESCN1CC=C([C@@H]2CCCN2C(O)C2CCC2)CC1
InChIInChI=1S/C15H26N2O/c1-16-10-7-12(8-11-16)14-6-3-9-17(14)15(18)13-4-2-5-13/h7,13-15,18H,2-6,8-11H2,1H3/t14-,15?/m0/s1
InChIKeyIDHAVFNPXSVRHT-MLCCFXAWSA-N
XLogP1.83
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol?
The IUPAC name of cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol (CID 129190716) is cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol.
What is the SMILES notation for cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol?
The canonical SMILES for cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol is CN1CC=C([C@@H]2CCCN2C(O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol?
The InChIKey is IDHAVFNPXSVRHT-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H26N2O/c1-16-10-7-12(8-11-16)14-6-3-9-17(14)15(18)13-4-2-5-13/h7,13-15,18H,2-6,8-11H2,1H3/t14-,15?/m0/s1.
What are the key properties of cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol?
cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol has a molecular weight of 250.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol is sourced from PubChem (CID 129190716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).