N-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide

C9H12N2O2 — CID 131110500

IUPACN-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide
SMILESCCC(C#N)NC(=O)C1=CCCO1
InChIInChI=1S/C9H12N2O2/c1-2-7(6-10)11-9(12)8-4-3-5-13-8/h4,7H,2-3,5H2,1H3,(H,11,12)
InChIKeyNTMLQSOFWZDJDO-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.71
Rot. Bonds3

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

N-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide (PubChem CID 131110500) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide
PubChem CID131110500
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide
SMILESCCC(C#N)NC(=O)C1=CCCO1
InChIInChI=1S/C9H12N2O2/c1-2-7(6-10)11-9(12)8-4-3-5-13-8/h4,7H,2-3,5H2,1H3,(H,11,12)
InChIKeyNTMLQSOFWZDJDO-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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide (CID 131110500) is N-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide is CCC(C#N)NC(=O)C1=CCCO1.
What is the InChIKey of N-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide?
The InChIKey is NTMLQSOFWZDJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-7(6-10)11-9(12)8-4-3-5-13-8/h4,7H,2-3,5H2,1H3,(H,11,12).
What are the key properties of N-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide?
N-(1-cyanopropyl)-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-cyanopropyl)-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 131110500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).