5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile

C10H14N2O2 — CID 115651266

IUPAC5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
SMILESCCC(CO)NCc1ccc(C#N)o1
InChIInChI=1S/C10H14N2O2/c1-2-8(7-13)12-6-10-4-3-9(5-11)14-10/h3-4,8,12-13H,2,6-7H2,1H3
InChIKeyORYQJWIBNCIEQW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.01
Rot. Bonds5

About 5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile

5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile (PubChem CID 115651266) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
PubChem CID115651266
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
SMILESCCC(CO)NCc1ccc(C#N)o1
InChIInChI=1S/C10H14N2O2/c1-2-8(7-13)12-6-10-4-3-9(5-11)14-10/h3-4,8,12-13H,2,6-7H2,1H3
InChIKeyORYQJWIBNCIEQW-UHFFFAOYSA-N
XLogP1.01
TPSA69.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(octan-4-ylamino)methyl]furan-2-carbonitrile
CID 113250138
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
CID 65312665
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115654952
2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
CID 6463695
5-[(3-hydroxypropylamino)methyl]furan-2-carbonitrile
CID 115651259
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
5-[(1-hydroxybutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675340
5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile
CID 115651531
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 4723603
(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622629

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile (CID 115651266) is 5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile is CCC(CO)NCc1ccc(C#N)o1.
What is the InChIKey of 5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile?
The InChIKey is ORYQJWIBNCIEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-8(7-13)12-6-10-4-3-9(5-11)14-10/h3-4,8,12-13H,2,6-7H2,1H3.
What are the key properties of 5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile?
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile has a molecular weight of 194.23 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).