(Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol

C7H9NO — CID 55287867

IUPAC(Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol
SMILESOC/C=C\c1ccc[nH]1
InChIInChI=1S/C7H9NO/c9-6-2-4-7-3-1-5-8-7/h1-5,8-9H,6H2/b4-2-
InChIKeyNOIAYORUEDGCKF-RQOWECAXSA-N
MW123.15 g/mol
LogP1.02
Rot. Bonds2

About (Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol

(Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol (PubChem CID 55287867) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol
PubChem CID55287867
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol
SMILESOC/C=C\c1ccc[nH]1
InChIInChI=1S/C7H9NO/c9-6-2-4-7-3-1-5-8-7/h1-5,8-9H,6H2/b4-2-
InChIKeyNOIAYORUEDGCKF-RQOWECAXSA-N
XLogP1.02
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol (CID 55287867) is (Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol is OC/C=C\c1ccc[nH]1.
What is the InChIKey of (Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol?
The InChIKey is NOIAYORUEDGCKF-RQOWECAXSA-N. The full InChI is InChI=1S/C7H9NO/c9-6-2-4-7-3-1-5-8-7/h1-5,8-9H,6H2/b4-2-.
What are the key properties of (Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol?
(Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol has a molecular weight of 123.15 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 55287867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).