N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide

C11H15NO3 — CID 111444909

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC1(O)CCC1
InChIInChI=1S/C11H15NO3/c1-8-9(3-6-15-8)10(13)12-7-11(14)4-2-5-11/h3,6,14H,2,4-5,7H2,1H3,(H,12,13)
InChIKeyYAADCLBTWXSCBV-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.23
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide (PubChem CID 111444909) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide
PubChem CID111444909
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC1(O)CCC1
InChIInChI=1S/C11H15NO3/c1-8-9(3-6-15-8)10(13)12-7-11(14)4-2-5-11/h3,6,14H,2,4-5,7H2,1H3,(H,12,13)
InChIKeyYAADCLBTWXSCBV-UHFFFAOYSA-N
XLogP1.23
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
CID 115362271
2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide
CID 106854397
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
CID 106686929
N-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
4-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103863824
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815
N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-2-trimethylsilylfuran-3-carboxamide
CID 166375841
N-[(1-hydroxycyclobutyl)methyl]-1,2-oxazole-3-carboxamide
CID 115643434
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide (CID 111444909) is N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide?
The InChIKey is YAADCLBTWXSCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-9(3-6-15-8)10(13)12-7-11(14)4-2-5-11/h3,6,14H,2,4-5,7H2,1H3,(H,12,13).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide has a molecular weight of 209.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 111444909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).