N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide

C12H21NO3 — CID 103954187

IUPACN-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide
SMILESO=C(NC1(CO)CCOCC1)C1CCCC1
InChIInChI=1S/C12H21NO3/c14-9-12(5-7-16-8-6-12)13-11(15)10-3-1-2-4-10/h10,14H,1-9H2,(H,13,15)
InChIKeyUNQSXHDBDKRCJV-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.83
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide

N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide (PubChem CID 103954187) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide
PubChem CID103954187
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide
SMILESO=C(NC1(CO)CCOCC1)C1CCCC1
InChIInChI=1S/C12H21NO3/c14-9-12(5-7-16-8-6-12)13-11(15)10-3-1-2-4-10/h10,14H,1-9H2,(H,13,15)
InChIKeyUNQSXHDBDKRCJV-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide (CID 103954187) is N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide is O=C(NC1(CO)CCOCC1)C1CCCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide?
The InChIKey is UNQSXHDBDKRCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-9-12(5-7-16-8-6-12)13-11(15)10-3-1-2-4-10/h10,14H,1-9H2,(H,13,15).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide has a molecular weight of 227.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 103954187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).