4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide

C10H13BrN2O3 — CID 125498607

IUPAC4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(Br)cn1CC1OCCO1
InChIInChI=1S/C10H13BrN2O3/c1-12-10(14)8-4-7(11)5-13(8)6-9-15-2-3-16-9/h4-5,9H,2-3,6H2,1H3,(H,12,14)
InChIKeyVNJGNAVMAMCVKY-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.98
Rot. Bonds3

About 4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide

4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide (PubChem CID 125498607) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide
PubChem CID125498607
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(Br)cn1CC1OCCO1
InChIInChI=1S/C10H13BrN2O3/c1-12-10(14)8-4-7(11)5-13(8)6-9-15-2-3-16-9/h4-5,9H,2-3,6H2,1H3,(H,12,14)
InChIKeyVNJGNAVMAMCVKY-UHFFFAOYSA-N
XLogP0.98
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide (CID 125498607) is 4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide is CNC(=O)c1cc(Br)cn1CC1OCCO1.
What is the InChIKey of 4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide?
The InChIKey is VNJGNAVMAMCVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-12-10(14)8-4-7(11)5-13(8)6-9-15-2-3-16-9/h4-5,9H,2-3,6H2,1H3,(H,12,14).
What are the key properties of 4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide?
4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide has a molecular weight of 289.13 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 125498607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).