N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide

C9H12N2O2 — CID 130669927

IUPACN-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
SMILESCC(CC#N)NC(=O)C1=CCCO1
InChIInChI=1S/C9H12N2O2/c1-7(4-5-10)11-9(12)8-3-2-6-13-8/h3,7H,2,4,6H2,1H3,(H,11,12)
InChIKeyWDLZFAABYGTLIP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.71
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide

N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide (PubChem CID 130669927) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
PubChem CID130669927
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
SMILESCC(CC#N)NC(=O)C1=CCCO1
InChIInChI=1S/C9H12N2O2/c1-7(4-5-10)11-9(12)8-3-2-6-13-8/h3,7H,2,4,6H2,1H3,(H,11,12)
InChIKeyWDLZFAABYGTLIP-UHFFFAOYSA-N
XLogP0.71
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
N-ethyl-2-methyl-2,3-dihydrofuran-5-carboxamide
CID 164015740
N-[2-(methylamino)ethyl]-2,3-dihydrofuran-5-carboxamide
CID 164089218
1,5-Dihydro-3-methoxy-5-methyl-2H-pyrrol-2-one
CID 55286648
N-(1-Cyano-2,2-dimethylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 71973250
N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97039089
N-[(1R)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97039090
N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide
CID 130616233
N-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130620451
N-(2-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130622158
N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide
CID 130622160
N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide
CID 130627716

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide (CID 130669927) is N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide is CC(CC#N)NC(=O)C1=CCCO1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide?
The InChIKey is WDLZFAABYGTLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(4-5-10)11-9(12)8-3-2-6-13-8/h3,7H,2,4,6H2,1H3,(H,11,12).
What are the key properties of N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide?
N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 130669927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).