1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile

C17H23NO2 — CID 79136813

IUPAC1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile
SMILESCC1CCCC(C#N)(C(O)c2ccc(C3CC3C)o2)C1
InChIInChI=1S/C17H23NO2/c1-11-4-3-7-17(9-11,10-18)16(19)15-6-5-14(20-15)13-8-12(13)2/h5-6,11-13,16,19H,3-4,7-9H2,1-2H3
InChIKeyHIFVYAMYUOOALY-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.16
Rot. Bonds3

About 1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile

1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile (PubChem CID 79136813) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile
PubChem CID79136813
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile
SMILESCC1CCCC(C#N)(C(O)c2ccc(C3CC3C)o2)C1
InChIInChI=1S/C17H23NO2/c1-11-4-3-7-17(9-11,10-18)16(19)15-6-5-14(20-15)13-8-12(13)2/h5-6,11-13,16,19H,3-4,7-9H2,1-2H3
InChIKeyHIFVYAMYUOOALY-UHFFFAOYSA-N
XLogP4.16
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[hydroxy-(5-methylfuran-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 79137005
1-[hydroxy-(4-methoxyphenyl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 79130229
1-[(5-bromothiophen-2-yl)-hydroxymethyl]-3-methylcyclohexane-1-carbonitrile
CID 79136557
1-[(2-ethylphenyl)-hydroxymethyl]-3-methylcyclohexane-1-carbonitrile
CID 79132331
1-[hydroxy(naphthalen-2-yl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 79125304
[1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 79124113
1-[(3-bromo-4-fluorophenyl)-hydroxymethyl]-3-methylcyclohexane-1-carbonitrile
CID 79136810
1-[hydroxy-(3-propan-2-ylimidazol-4-yl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 79127087
1-[hydroxy-(4-propoxyphenyl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 79124023
1-(1-hydroxy-2-oxoethyl)-3-methylcyclohexane-1-carbonitrile
CID 79128992
1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-3-methylcyclohexane-1-carbonitrile
CID 79129018
1-[(4-bromophenyl)-hydroxymethyl]-3-methylcyclopentane-1-carbonitrile
CID 79136299

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile (CID 79136813) is 1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile is CC1CCCC(C#N)(C(O)c2ccc(C3CC3C)o2)C1.
What is the InChIKey of 1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile?
The InChIKey is HIFVYAMYUOOALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-4-3-7-17(9-11,10-18)16(19)15-6-5-14(20-15)13-8-12(13)2/h5-6,11-13,16,19H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile?
1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79136813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).