N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C10H12N2O3 — CID 106385305

IUPACN-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCc1cc[nH]c1)C1=COCCO1
InChIInChI=1S/C10H12N2O3/c13-10(9-7-14-3-4-15-9)12-6-8-1-2-11-5-8/h1-2,5,7,11H,3-4,6H2,(H,12,13)
InChIKeySNDBJJYDVGQTHK-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.52
Rot. Bonds3

About N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 106385305) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID106385305
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCc1cc[nH]c1)C1=COCCO1
InChIInChI=1S/C10H12N2O3/c13-10(9-7-14-3-4-15-9)12-6-8-1-2-11-5-8/h1-2,5,7,11H,3-4,6H2,(H,12,13)
InChIKeySNDBJJYDVGQTHK-UHFFFAOYSA-N
XLogP0.52
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7732666
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 13088123
N-[(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24575317
2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid
CID 28789456
5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
CID 106385033
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 63237622
N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 43392740
N-(1H-pyrrol-3-ylmethyl)morpholine-4-carboxamide
CID 110873953
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24551070
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
CID 106385466
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 106385305) is N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCc1cc[nH]c1)C1=COCCO1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is SNDBJJYDVGQTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-10(9-7-14-3-4-15-9)12-6-8-1-2-11-5-8/h1-2,5,7,11H,3-4,6H2,(H,12,13).
What are the key properties of N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 208.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 106385305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).