1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide

C13H20N2O3 — CID 106297618

IUPAC1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C13H20N2O3/c1-2-15-7-3-4-11(15)12(17)14-13(10-16)5-8-18-9-6-13/h3-4,7,16H,2,5-6,8-10H2,1H3,(H,14,17)
InChIKeyAQYGCNZVJVMSPZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.78
Rot. Bonds4

About 1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide

1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide (PubChem CID 106297618) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide
PubChem CID106297618
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C13H20N2O3/c1-2-15-7-3-4-11(15)12(17)14-13(10-16)5-8-18-9-6-13/h3-4,7,16H,2,5-6,8-10H2,1H3,(H,14,17)
InChIKeyAQYGCNZVJVMSPZ-UHFFFAOYSA-N
XLogP0.78
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide (CID 106297618) is 1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide is CCn1cccc1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of 1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide?
The InChIKey is AQYGCNZVJVMSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-15-7-3-4-11(15)12(17)14-13(10-16)5-8-18-9-6-13/h3-4,7,16H,2,5-6,8-10H2,1H3,(H,14,17).
What are the key properties of 1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide?
1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 106297618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).