N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide

C9H12N2O2 — CID 43593745

IUPACN-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CC1N
InChIInChI=1S/C9H12N2O2/c1-5-2-3-13-8(5)9(12)11-7-4-6(7)10/h2-3,6-7H,4,10H2,1H3,(H,11,12)
InChIKeyXQAAAYILWMOCCA-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.42
Rot. Bonds2

About N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide

N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide (PubChem CID 43593745) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide
PubChem CID43593745
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CC1N
InChIInChI=1S/C9H12N2O2/c1-5-2-3-13-8(5)9(12)11-7-4-6(7)10/h2-3,6-7H,4,10H2,1H3,(H,11,12)
InChIKeyXQAAAYILWMOCCA-UHFFFAOYSA-N
XLogP0.42
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
3-methyl-N-(4-methylpyrrolidin-3-yl)furan-2-carboxamide
CID 104826170
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide
CID 76978371
3-methyl-N-(2-methylpiperidin-3-yl)furan-2-carboxamide;hydrochloride
CID 120577222
N-(2-aminocyclopropyl)-2-methylbenzamide
CID 43593725
3-bromo-N-(2-methylcyclopropyl)furan-2-carboxamide
CID 130693285
[(3-methylfuran-2-carbonyl)amino] cyclohexanecarboxylate
CID 174560408
N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
CID 63214074
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525609
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide
CID 114317495

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide (CID 43593745) is N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC1CC1N.
What is the InChIKey of N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide?
The InChIKey is XQAAAYILWMOCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-2-3-13-8(5)9(12)11-7-4-6(7)10/h2-3,6-7H,4,10H2,1H3,(H,11,12).
What are the key properties of N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide?
N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 43593745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).