(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol

C14H19NO — CID 86781785

IUPAC(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol
SMILESC/C(=C/c1ccccc1)CN1CC[C@@H](O)C1
InChIInChI=1S/C14H19NO/c1-12(9-13-5-3-2-4-6-13)10-15-8-7-14(16)11-15/h2-6,9,14,16H,7-8,10-11H2,1H3/b12-9-/t14-/m1/s1
InChIKeyFNADMRYQKHMPLM-FWLQQBITSA-N
MW217.31 g/mol
LogP2.16
Rot. Bonds3

About (3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol

(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol (PubChem CID 86781785) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol
PubChem CID86781785
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol
SMILESC/C(=C/c1ccccc1)CN1CC[C@@H](O)C1
InChIInChI=1S/C14H19NO/c1-12(9-13-5-3-2-4-6-13)10-15-8-7-14(16)11-15/h2-6,9,14,16H,7-8,10-11H2,1H3/b12-9-/t14-/m1/s1
InChIKeyFNADMRYQKHMPLM-FWLQQBITSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981090
1-(2-methyl-3-phenylprop-2-enyl)piperidin-3-ol
CID 127265628
[(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 154779546
(3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide
CID 782727
2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol
CID 138045097
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 138042151
ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate
CID 757381
1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine
CID 91941498
1-[(1S,5S)-3-[(E)-2-methyl-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 98178070
3-[(3S,4R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propanoic acid
CID 133135047
1-(3-hydroxypyrrolidin-1-yl)propan-2-one
CID 23388482

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol (CID 86781785) is (3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol is C/C(=C/c1ccccc1)CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol?
The InChIKey is FNADMRYQKHMPLM-FWLQQBITSA-N. The full InChI is InChI=1S/C14H19NO/c1-12(9-13-5-3-2-4-6-13)10-15-8-7-14(16)11-15/h2-6,9,14,16H,7-8,10-11H2,1H3/b12-9-/t14-/m1/s1.
What are the key properties of (3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol?
(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol has a molecular weight of 217.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol is sourced from PubChem (CID 86781785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).