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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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).