(E)-7-pyrrol-1-ylhept-1-en-1-ol

C11H17NO — CID 68555129

IUPAC(E)-7-pyrrol-1-ylhept-1-en-1-ol
SMILESO/C=C/CCCCCn1cccc1
InChIInChI=1S/C11H17NO/c13-11-7-3-1-2-4-8-12-9-5-6-10-12/h5-7,9-11,13H,1-4,8H2/b11-7+
InChIKeyMEPVGSPAKWKOIA-YRNVUSSQSA-N
MW179.26 g/mol
LogP3.12
Rot. Bonds6

About (E)-7-pyrrol-1-ylhept-1-en-1-ol

(E)-7-pyrrol-1-ylhept-1-en-1-ol (PubChem CID 68555129) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (E)-7-pyrrol-1-ylhept-1-en-1-ol.

Molecular Properties

Compound Name(E)-7-pyrrol-1-ylhept-1-en-1-ol
PubChem CID68555129
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(E)-7-pyrrol-1-ylhept-1-en-1-ol
SMILESO/C=C/CCCCCn1cccc1
InChIInChI=1S/C11H17NO/c13-11-7-3-1-2-4-8-12-9-5-6-10-12/h5-7,9-11,13H,1-4,8H2/b11-7+
InChIKeyMEPVGSPAKWKOIA-YRNVUSSQSA-N
XLogP3.12
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 11205970
(E)-hexadec-1-ene-1,16-diol
CID 57427575
heptadec-1-ene-1,17-diol
CID 142730253
1-heptadecylpyrrole
CID 23344128
1-docosylpyrrole
CID 23344131
(Z)-pentadec-1-en-1-ol
CID 135331786
sodium;(E)-hept-1-ene-1,7-diol;hydride
CID 174548415
(E)-pentacos-1-en-1-ol
CID 135335589
trichloro(11-pyrrol-1-ylundecyl)silane
CID 21024531
octadeca-1,13-dien-1-ol
CID 173121354
1-pentylpyrrole;propane
CID 174972146
(1E)-octadeca-1,11-dien-1-ol
CID 138611647

Frequently Asked Questions

What is the IUPAC name of (E)-7-pyrrol-1-ylhept-1-en-1-ol?
The IUPAC name of (E)-7-pyrrol-1-ylhept-1-en-1-ol (CID 68555129) is (E)-7-pyrrol-1-ylhept-1-en-1-ol.
What is the SMILES notation for (E)-7-pyrrol-1-ylhept-1-en-1-ol?
The canonical SMILES for (E)-7-pyrrol-1-ylhept-1-en-1-ol is O/C=C/CCCCCn1cccc1.
What is the InChIKey of (E)-7-pyrrol-1-ylhept-1-en-1-ol?
The InChIKey is MEPVGSPAKWKOIA-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H17NO/c13-11-7-3-1-2-4-8-12-9-5-6-10-12/h5-7,9-11,13H,1-4,8H2/b11-7+.
What are the key properties of (E)-7-pyrrol-1-ylhept-1-en-1-ol?
(E)-7-pyrrol-1-ylhept-1-en-1-ol has a molecular weight of 179.26 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-pyrrol-1-ylhept-1-en-1-ol is sourced from PubChem (CID 68555129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).