N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide

C12H14N2O2 — CID 110766123

IUPACN-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)c(C)[nH]1
InChIInChI=1S/C12H14N2O2/c1-8-6-11(9(2)14-8)12(15)13-7-10-4-3-5-16-10/h3-6,14H,7H2,1-2H3,(H,13,15)
InChIKeyBHAIPJLXYYSIIR-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.15
Rot. Bonds3

About N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide

N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 110766123) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID110766123
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)c(C)[nH]1
InChIInChI=1S/C12H14N2O2/c1-8-6-11(9(2)14-8)12(15)13-7-10-4-3-5-16-10/h3-6,14H,7H2,1-2H3,(H,13,15)
InChIKeyBHAIPJLXYYSIIR-UHFFFAOYSA-N
XLogP2.15
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N'-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575952
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide
CID 110762882
2-amino-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107073676
2,5-dibromo-N-(furan-2-ylmethyl)benzamide
CID 114369742
N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697610

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide (CID 110766123) is N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide is Cc1cc(C(=O)NCc2ccco2)c(C)[nH]1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is BHAIPJLXYYSIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-6-11(9(2)14-8)12(15)13-7-10-4-3-5-16-10/h3-6,14H,7H2,1-2H3,(H,13,15).
What are the key properties of N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide?
N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110766123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).