cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol

C11H13NO — CID 79103372

IUPACcyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol
SMILESC#CCn1ccc(C(O)C2CC2)c1
InChIInChI=1S/C11H13NO/c1-2-6-12-7-5-10(8-12)11(13)9-3-4-9/h1,5,7-9,11,13H,3-4,6H2
InChIKeyCGIYEBRCUIDJDQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.56
Rot. Bonds3

About cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol

cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol (PubChem CID 79103372) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol.

Molecular Properties

Compound Namecyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol
PubChem CID79103372
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Namecyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol
SMILESC#CCn1ccc(C(O)C2CC2)c1
InChIInChI=1S/C11H13NO/c1-2-6-12-7-5-10(8-12)11(13)9-3-4-9/h1,5,7-9,11,13H,3-4,6H2
InChIKeyCGIYEBRCUIDJDQ-UHFFFAOYSA-N
XLogP1.56
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol?
The IUPAC name of cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol (CID 79103372) is cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol.
What is the SMILES notation for cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol?
The canonical SMILES for cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol is C#CCn1ccc(C(O)C2CC2)c1.
What is the InChIKey of cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol?
The InChIKey is CGIYEBRCUIDJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-6-12-7-5-10(8-12)11(13)9-3-4-9/h1,5,7-9,11,13H,3-4,6H2.
What are the key properties of cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol?
cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol has a molecular weight of 175.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol is sourced from PubChem (CID 79103372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).