4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile

C10H15NO2 — CID 79132653

IUPAC4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile
SMILESN#CC1(C(O)C2CC2)CCOCC1
InChIInChI=1S/C10H15NO2/c11-7-10(3-5-13-6-4-10)9(12)8-1-2-8/h8-9,12H,1-6H2
InChIKeyUUOQZGQLMSRMJG-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.08
Rot. Bonds2

About 4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile

4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile (PubChem CID 79132653) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile.

Molecular Properties

Compound Name4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile
PubChem CID79132653
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile
SMILESN#CC1(C(O)C2CC2)CCOCC1
InChIInChI=1S/C10H15NO2/c11-7-10(3-5-13-6-4-10)9(12)8-1-2-8/h8-9,12H,1-6H2
InChIKeyUUOQZGQLMSRMJG-UHFFFAOYSA-N
XLogP1.08
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[hydroxy(oxan-4-yl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 79132465
3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile
CID 103715793
1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile
CID 79132459
1-[hydroxy(oxolan-3-yl)methyl]cycloheptane-1-carbonitrile
CID 79136550
1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80603929
2-[hydroxy(oxan-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 79132573
1-[cycloheptyl(hydroxy)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79128745
1-[cyclopropyl(hydroxy)methyl]-4-(cyclopropylmethylsulfonyl)cyclohexane-1-carbonitrile
CID 68685487
4-tert-butyl-1-[cyclohexyl(hydroxy)methyl]cyclohexane-1-carbonitrile
CID 79137065
1-[cyclohexyl(hydroxy)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 79137432
1-[hydroxy(thiolan-3-yl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 107133776
1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile
CID 79132034

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile?
The IUPAC name of 4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile (CID 79132653) is 4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile.
What is the SMILES notation for 4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile?
The canonical SMILES for 4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile is N#CC1(C(O)C2CC2)CCOCC1.
What is the InChIKey of 4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile?
The InChIKey is UUOQZGQLMSRMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c11-7-10(3-5-13-6-4-10)9(12)8-1-2-8/h8-9,12H,1-6H2.
What are the key properties of 4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile?
4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile has a molecular weight of 181.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile is sourced from PubChem (CID 79132653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).