2-amino-5,5-dicyclopropylpent-3-en-1-ol

C11H19NO — CID 56975774

IUPAC2-amino-5,5-dicyclopropylpent-3-en-1-ol
SMILESNC(C=CC(C1CC1)C1CC1)CO
InChIInChI=1S/C11H19NO/c12-10(7-13)5-6-11(8-1-2-8)9-3-4-9/h5-6,8-11,13H,1-4,7,12H2
InChIKeyFJSZTRULVXLZLZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.30
Rot. Bonds5

About 2-amino-5,5-dicyclopropylpent-3-en-1-ol

2-amino-5,5-dicyclopropylpent-3-en-1-ol (PubChem CID 56975774) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-amino-5,5-dicyclopropylpent-3-en-1-ol.

Molecular Properties

Compound Name2-amino-5,5-dicyclopropylpent-3-en-1-ol
PubChem CID56975774
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-amino-5,5-dicyclopropylpent-3-en-1-ol
SMILESNC(C=CC(C1CC1)C1CC1)CO
InChIInChI=1S/C11H19NO/c12-10(7-13)5-6-11(8-1-2-8)9-3-4-9/h5-6,8-11,13H,1-4,7,12H2
InChIKeyFJSZTRULVXLZLZ-UHFFFAOYSA-N
XLogP1.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dicyclopropylpent-3-en-1-ol?
The IUPAC name of 2-amino-5,5-dicyclopropylpent-3-en-1-ol (CID 56975774) is 2-amino-5,5-dicyclopropylpent-3-en-1-ol.
What is the SMILES notation for 2-amino-5,5-dicyclopropylpent-3-en-1-ol?
The canonical SMILES for 2-amino-5,5-dicyclopropylpent-3-en-1-ol is NC(C=CC(C1CC1)C1CC1)CO.
What is the InChIKey of 2-amino-5,5-dicyclopropylpent-3-en-1-ol?
The InChIKey is FJSZTRULVXLZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-10(7-13)5-6-11(8-1-2-8)9-3-4-9/h5-6,8-11,13H,1-4,7,12H2.
What are the key properties of 2-amino-5,5-dicyclopropylpent-3-en-1-ol?
2-amino-5,5-dicyclopropylpent-3-en-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dicyclopropylpent-3-en-1-ol is sourced from PubChem (CID 56975774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).