4-(cyclohex-2-en-1-ylamino)oxolan-3-ol

C10H17NO2 — CID 130719542

IUPAC4-(cyclohex-2-en-1-ylamino)oxolan-3-ol
SMILESOC1COCC1NC1C=CCCC1
InChIInChI=1S/C10H17NO2/c12-10-7-13-6-9(10)11-8-4-2-1-3-5-8/h2,4,8-12H,1,3,5-7H2
InChIKeyVSNQZGWTIVKJLH-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.44
Rot. Bonds2

About 4-(cyclohex-2-en-1-ylamino)oxolan-3-ol

4-(cyclohex-2-en-1-ylamino)oxolan-3-ol (PubChem CID 130719542) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(cyclohex-2-en-1-ylamino)oxolan-3-ol.

Molecular Properties

Compound Name4-(cyclohex-2-en-1-ylamino)oxolan-3-ol
PubChem CID130719542
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-(cyclohex-2-en-1-ylamino)oxolan-3-ol
SMILESOC1COCC1NC1C=CCCC1
InChIInChI=1S/C10H17NO2/c12-10-7-13-6-9(10)11-8-4-2-1-3-5-8/h2,4,8-12H,1,3,5-7H2
InChIKeyVSNQZGWTIVKJLH-UHFFFAOYSA-N
XLogP0.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]oxolan-3-ol
CID 122236870
N-cyclohex-2-en-1-yl-2-cyclopropyloxolan-3-amine
CID 103580766
N-(2,3-dimethylcyclopentyl)cyclohex-2-en-1-amine
CID 107907080
N-cyclohex-2-en-1-ylcyclooctanamine
CID 103830652
N-cyclohex-2-en-1-ylmorpholin-4-amine
CID 107907734
N-(2,2,3,3-tetramethylcyclopropyl)cyclohex-2-en-1-amine
CID 107907258
4-[[2-(aminomethyl)cyclopentyl]amino]oxolan-3-ol
CID 130679231
4-[(3-methylcyclohexyl)amino]oxolan-3-ol
CID 60900459
N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine
CID 107906675
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
CID 106547294
N-(3-methylcyclopentyl)cyclohex-2-en-1-amine
CID 115893652
2-(cyclohex-2-en-1-ylamino)propane-1,3-diol
CID 107907132

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohex-2-en-1-ylamino)oxolan-3-ol?
The IUPAC name of 4-(cyclohex-2-en-1-ylamino)oxolan-3-ol (CID 130719542) is 4-(cyclohex-2-en-1-ylamino)oxolan-3-ol.
What is the SMILES notation for 4-(cyclohex-2-en-1-ylamino)oxolan-3-ol?
The canonical SMILES for 4-(cyclohex-2-en-1-ylamino)oxolan-3-ol is OC1COCC1NC1C=CCCC1.
What is the InChIKey of 4-(cyclohex-2-en-1-ylamino)oxolan-3-ol?
The InChIKey is VSNQZGWTIVKJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10-7-13-6-9(10)11-8-4-2-1-3-5-8/h2,4,8-12H,1,3,5-7H2.
What are the key properties of 4-(cyclohex-2-en-1-ylamino)oxolan-3-ol?
4-(cyclohex-2-en-1-ylamino)oxolan-3-ol has a molecular weight of 183.25 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohex-2-en-1-ylamino)oxolan-3-ol is sourced from PubChem (CID 130719542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).