N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide

C12H14N2O2 — CID 114820604

IUPACN-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCC#N)C2CC2)co1
InChIInChI=1S/C12H14N2O2/c1-9-7-10(8-16-9)12(15)14(6-2-5-13)11-3-4-11/h7-8,11H,2-4,6H2,1H3
InChIKeyGAWMMCJFWBFVJO-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.11
Rot. Bonds4

About N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide

N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide (PubChem CID 114820604) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
PubChem CID114820604
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCC#N)C2CC2)co1
InChIInChI=1S/C12H14N2O2/c1-9-7-10(8-16-9)12(15)14(6-2-5-13)11-3-4-11/h7-8,11H,2-4,6H2,1H3
InChIKeyGAWMMCJFWBFVJO-UHFFFAOYSA-N
XLogP2.11
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-(2-hydroxyethyl)-5-methylfuran-3-carboxamide
CID 114821743
N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102873978
N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide
CID 114823139
N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102872443
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144
N-(2-cyanoethyl)-N-cyclopropyl-3-methyl-5-nitrobenzamide
CID 115642412
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 114219509
N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide
CID 62919298
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998615
N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide
CID 115592849

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide (CID 114820604) is N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide is Cc1cc(C(=O)N(CCC#N)C2CC2)co1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide?
The InChIKey is GAWMMCJFWBFVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-7-10(8-16-9)12(15)14(6-2-5-13)11-3-4-11/h7-8,11H,2-4,6H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide?
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114820604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).