N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide

C12H17NO3 — CID 114821777

IUPACN-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2O)co1
InChIInChI=1S/C12H17NO3/c1-8-5-10(7-16-8)12(15)13-6-9-3-2-4-11(9)14/h5,7,9,11,14H,2-4,6H2,1H3,(H,13,15)
InChIKeyNJPNEJIIPTUMRU-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.48
Rot. Bonds3

About N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide (PubChem CID 114821777) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide
PubChem CID114821777
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2O)co1
InChIInChI=1S/C12H17NO3/c1-8-5-10(7-16-8)12(15)13-6-9-3-2-4-11(9)14/h5,7,9,11,14H,2-4,6H2,1H3,(H,13,15)
InChIKeyNJPNEJIIPTUMRU-UHFFFAOYSA-N
XLogP1.48
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide
CID 114823305
N-[(3-chlorocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106132172
N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106134580
6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 115283344
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111540657
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 64927116
5-[(2-methylcyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
CID 107420211
N-[(2-hydroxycyclopentyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247272

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide (CID 114821777) is N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NCC2CCCC2O)co1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide?
The InChIKey is NJPNEJIIPTUMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-5-10(7-16-8)12(15)13-6-9-3-2-4-11(9)14/h5,7,9,11,14H,2-4,6H2,1H3,(H,13,15).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114821777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).