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

C13H19NO3 — CID 115362271

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H19NO3/c1-10-11(4-7-17-10)12(16)14-8-13(9-15)5-2-3-6-13/h4,7,15H,2-3,5-6,8-9H2,1H3,(H,14,16)
InChIKeyXOOLHFLAUMDDNI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.87
Rot. Bonds4

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

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide (PubChem CID 115362271) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
PubChem CID115362271
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H19NO3/c1-10-11(4-7-17-10)12(16)14-8-13(9-15)5-2-3-6-13/h4,7,15H,2-3,5-6,8-9H2,1H3,(H,14,16)
InChIKeyXOOLHFLAUMDDNI-UHFFFAOYSA-N
XLogP1.87
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide
CID 111444909
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106687086
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 115701312
2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 64671935
5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 113294009
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-5-sulfanylbenzamide
CID 107034278
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid
CID 103260311
2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide
CID 106690116

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide (CID 115362271) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC1(CO)CCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide?
The InChIKey is XOOLHFLAUMDDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-11(4-7-17-10)12(16)14-8-13(9-15)5-2-3-6-13/h4,7,15H,2-3,5-6,8-9H2,1H3,(H,14,16).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 115362271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).