(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol

C14H15NO — CID 59886434

IUPAC(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol
SMILESC/C(=C\C1=NC=CC1)C(O)c1ccccc1
InChIInChI=1S/C14H15NO/c1-11(10-13-8-5-9-15-13)14(16)12-6-3-2-4-7-12/h2-7,9-10,14,16H,8H2,1H3/b11-10+
InChIKeyFXBZABSEFZGPAV-ZHACJKMWSA-N
MW213.28 g/mol
LogP3.02
Rot. Bonds3

About (E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol

(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol (PubChem CID 59886434) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol
PubChem CID59886434
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol
SMILESC/C(=C\C1=NC=CC1)C(O)c1ccccc1
InChIInChI=1S/C14H15NO/c1-11(10-13-8-5-9-15-13)14(16)12-6-3-2-4-7-12/h2-7,9-10,14,16H,8H2,1H3/b11-10+
InChIKeyFXBZABSEFZGPAV-ZHACJKMWSA-N
XLogP3.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol
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9-Fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol
CID 142980732
(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
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CID 152817869

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol (CID 59886434) is (E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol is C/C(=C\C1=NC=CC1)C(O)c1ccccc1.
What is the InChIKey of (E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol?
The InChIKey is FXBZABSEFZGPAV-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H15NO/c1-11(10-13-8-5-9-15-13)14(16)12-6-3-2-4-7-12/h2-7,9-10,14,16H,8H2,1H3/b11-10+.
What are the key properties of (E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol?
(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol has a molecular weight of 213.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 59886434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).