3-hydroxypropyl pyrrole-1-carboxylate

C8H11NO3 — CID 141178734

IUPAC3-hydroxypropyl pyrrole-1-carboxylate
SMILESO=C(OCCCO)n1cccc1
InChIInChI=1S/C8H11NO3/c10-6-3-7-12-8(11)9-4-1-2-5-9/h1-2,4-5,10H,3,6-7H2
InChIKeyVIGLXCZKZIPCBI-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.86
Rot. Bonds3

About 3-hydroxypropyl pyrrole-1-carboxylate

3-hydroxypropyl pyrrole-1-carboxylate (PubChem CID 141178734) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-hydroxypropyl pyrrole-1-carboxylate.

Molecular Properties

Compound Name3-hydroxypropyl pyrrole-1-carboxylate
PubChem CID141178734
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-hydroxypropyl pyrrole-1-carboxylate
SMILESO=C(OCCCO)n1cccc1
InChIInChI=1S/C8H11NO3/c10-6-3-7-12-8(11)9-4-1-2-5-9/h1-2,4-5,10H,3,6-7H2
InChIKeyVIGLXCZKZIPCBI-UHFFFAOYSA-N
XLogP0.86
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxypropyl pyrrolidine-1-carboxylate
CID 118095652
2-(2-prop-2-enoyloxyethyldisulfanyl)ethyl pyrrole-1-carboxylate
CID 90051313
3-hydroxypropyl 2-pyridin-1-ium-1-ylacetate
CID 58230624
3-hydroxypropyl indazole-1-carboxylate
CID 141178770
2-hydroxy-1-pyrrol-1-ylethanone
CID 11320937
3-hydroxypropyl 2-(disulfanyl)acetate
CID 141243335
butyl imidazole-1-carboxylate
CID 12840941
3-hydroxypropyl 2-aminoacetate;hydrochloride
CID 174791685
3-hydroxypropyl 2-(chloromethyl)prop-2-enoate
CID 54080773
(2,5-dihydroxypyrrol-1-yl) 3-hydroxypropyl carbonate
CID 90710397
bis[3-(3-hydroxypropoxy)propyl] benzene-1,2-dicarboxylate
CID 142688933
bis(5-hydroxypentyl) carbonate
CID 54559104

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl pyrrole-1-carboxylate?
The IUPAC name of 3-hydroxypropyl pyrrole-1-carboxylate (CID 141178734) is 3-hydroxypropyl pyrrole-1-carboxylate.
What is the SMILES notation for 3-hydroxypropyl pyrrole-1-carboxylate?
The canonical SMILES for 3-hydroxypropyl pyrrole-1-carboxylate is O=C(OCCCO)n1cccc1.
What is the InChIKey of 3-hydroxypropyl pyrrole-1-carboxylate?
The InChIKey is VIGLXCZKZIPCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-6-3-7-12-8(11)9-4-1-2-5-9/h1-2,4-5,10H,3,6-7H2.
What are the key properties of 3-hydroxypropyl pyrrole-1-carboxylate?
3-hydroxypropyl pyrrole-1-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl pyrrole-1-carboxylate is sourced from PubChem (CID 141178734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).