N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C11H17NO4 — CID 62517830

IUPACN-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC1(CO)CCCC1)C1=COCCO1
InChIInChI=1S/C11H17NO4/c13-8-11(3-1-2-4-11)12-10(14)9-7-15-5-6-16-9/h7,13H,1-6,8H2,(H,12,14)
InChIKeyRXSDKHALAJNPGN-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.30
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 62517830) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID62517830
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC1(CO)CCCC1)C1=COCCO1
InChIInChI=1S/C11H17NO4/c13-8-11(3-1-2-4-11)12-10(14)9-7-15-5-6-16-9/h7,13H,1-6,8H2,(H,12,14)
InChIKeyRXSDKHALAJNPGN-UHFFFAOYSA-N
XLogP0.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 62517830) is N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NC1(CO)CCCC1)C1=COCCO1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is RXSDKHALAJNPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-8-11(3-1-2-4-11)12-10(14)9-7-15-5-6-16-9/h7,13H,1-6,8H2,(H,12,14).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 227.26 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 62517830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).