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

C9H12N2O2 — CID 130622160

IUPACN-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide
SMILESCC(C#N)CNC(=O)C1=CCCO1
InChIInChI=1S/C9H12N2O2/c1-7(5-10)6-11-9(12)8-3-2-4-13-8/h3,7H,2,4,6H2,1H3,(H,11,12)
InChIKeyPHMGAEHFBGWQBS-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.57
Rot. Bonds3

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

N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide (PubChem CID 130622160) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide
PubChem CID130622160
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide
SMILESCC(C#N)CNC(=O)C1=CCCO1
InChIInChI=1S/C9H12N2O2/c1-7(5-10)6-11-9(12)8-3-2-4-13-8/h3,7H,2,4,6H2,1H3,(H,11,12)
InChIKeyPHMGAEHFBGWQBS-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-2,3-dihydrofuran-5-carboxamide
CID 164015740
N-[2-(methylamino)ethyl]-2,3-dihydrofuran-5-carboxamide
CID 164089218
N-isobutyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537837
N-(3-methylcyclobutyl)-2,3-dihydrofuran-5-carboxamide
CID 126999413
N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide
CID 130616233
N-but-2-ynyl-2,3-dihydrofuran-5-carboxamide
CID 130622044
N-(2-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130622158
N-ethyl-2,3-dihydrofuran-5-carboxamide
CID 130668490
N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130669927
N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 130671534
N-[2-(methylamino)-2-oxoethyl]-2,3-dihydrofuran-5-carboxamide
CID 130684340
N-(2-hydroxypropyl)-2,3-dihydrofuran-5-carboxamide
CID 130693492

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide (CID 130622160) is N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide is CC(C#N)CNC(=O)C1=CCCO1.
What is the InChIKey of N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide?
The InChIKey is PHMGAEHFBGWQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(5-10)6-11-9(12)8-3-2-4-13-8/h3,7H,2,4,6H2,1H3,(H,11,12).
What are the key properties of N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide?
N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 130622160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).