(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol

C11H13NO — CID 102498820

IUPAC(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol
SMILESOCC1CCC(c2ccccc2)=N1
InChIInChI=1S/C11H13NO/c13-8-10-6-7-11(12-10)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyMRAOXYZYRMYEPV-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.63
Rot. Bonds2

About (5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol

(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol (PubChem CID 102498820) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol
PubChem CID102498820
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol
SMILESOCC1CCC(c2ccccc2)=N1
InChIInChI=1S/C11H13NO/c13-8-10-6-7-11(12-10)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyMRAOXYZYRMYEPV-UHFFFAOYSA-N
XLogP1.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,3,4,5-Tetrahydropyridin-6-yl)phenyl]methanol
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ST026286
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(3-Phenyl-2H-aziren-2-yl)methanol
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(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
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CID 18663695
(2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol
CID 58736091
2-[(2R)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588463
2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588525
2-[(2R)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588584
[2-(2-fluorophenyl)-3H-pyrrol-4-yl]methanol
CID 158669979

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol?
The IUPAC name of (5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol (CID 102498820) is (5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol.
What is the SMILES notation for (5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol?
The canonical SMILES for (5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol is OCC1CCC(c2ccccc2)=N1.
What is the InChIKey of (5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol?
The InChIKey is MRAOXYZYRMYEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-8-10-6-7-11(12-10)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2.
What are the key properties of (5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol?
(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol has a molecular weight of 175.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol is sourced from PubChem (CID 102498820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).