2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide

C12H18N2O2 — CID 115977131

IUPAC2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide
SMILESCc1ccc(CNC2CCCC2C(N)=O)o1
InChIInChI=1S/C12H18N2O2/c1-8-5-6-9(16-8)7-14-11-4-2-3-10(11)12(13)15/h5-6,10-11,14H,2-4,7H2,1H3,(H2,13,15)
InChIKeyHIPSKHWQZLQAOM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.33
Rot. Bonds4

About 2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide

2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide (PubChem CID 115977131) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide
PubChem CID115977131
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide
SMILESCc1ccc(CNC2CCCC2C(N)=O)o1
InChIInChI=1S/C12H18N2O2/c1-8-5-6-9(16-8)7-14-11-4-2-3-10(11)12(13)15/h5-6,10-11,14H,2-4,7H2,1H3,(H2,13,15)
InChIKeyHIPSKHWQZLQAOM-UHFFFAOYSA-N
XLogP1.33
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate
CID 129432511
[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methanol
CID 115655051
4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide
CID 43433249
trans-methyl (1R,2R)-2-[(5-bromofuran-2-yl)methylamino]cyclopentane-1-carboxylate
CID 100615405
tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695771
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide
CID 86802324
(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol
CID 94466425
3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654567
[5-[[(2-ethylcyclopentyl)amino]methyl]furan-2-yl]methanol
CID 115691360
2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide
CID 86790304
[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]methanol
CID 115655020
1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone
CID 97097423

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide (CID 115977131) is 2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide is Cc1ccc(CNC2CCCC2C(N)=O)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide?
The InChIKey is HIPSKHWQZLQAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-6-9(16-8)7-14-11-4-2-3-10(11)12(13)15/h5-6,10-11,14H,2-4,7H2,1H3,(H2,13,15).
What are the key properties of 2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide?
2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 115977131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).