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

C8H12N2O3 — CID 130620451

IUPACN-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
SMILESCC(NC(=O)C1=CCCO1)C(N)=O
InChIInChI=1S/C8H12N2O3/c1-5(7(9)11)10-8(12)6-3-2-4-13-6/h3,5H,2,4H2,1H3,(H2,9,11)(H,10,12)
InChIKeyOPQCPQKLSLEPRF-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.72
Rot. Bonds3

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

N-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide (PubChem CID 130620451) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
PubChem CID130620451
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
SMILESCC(NC(=O)C1=CCCO1)C(N)=O
InChIInChI=1S/C8H12N2O3/c1-5(7(9)11)10-8(12)6-3-2-4-13-6/h3,5H,2,4H2,1H3,(H2,9,11)(H,10,12)
InChIKeyOPQCPQKLSLEPRF-UHFFFAOYSA-N
XLogP-0.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
CID 97090915
2,3-Dihydrofuran-5-yl(piperazin-1-yl)methanone
CID 70343538
N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide
CID 89020241
1-ethyl-4-methoxy-5-oxo-N-prop-2-ynyl-2H-pyrrole-2-carboxamide
CID 89480247
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
4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
CID 71926656
(S)-methyl 2-(5-methoxy-4-oxo-4H-pyran-2-carboxamido)propanoate
CID 110205971
N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 126997822
N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide
CID 130616233
N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide
CID 130627716

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide (CID 130620451) is N-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide is CC(NC(=O)C1=CCCO1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide?
The InChIKey is OPQCPQKLSLEPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(7(9)11)10-8(12)6-3-2-4-13-6/h3,5H,2,4H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide has a molecular weight of 184.19 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 130620451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).