2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol

C11H21NO — CID 130648495

IUPAC2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol
SMILESC=CC(C)NC1(C)CCCC1(C)O
InChIInChI=1S/C11H21NO/c1-5-9(2)12-10(3)7-6-8-11(10,4)13/h5,9,12-13H,1,6-8H2,2-4H3
InChIKeyMHOTXOVDTOZAMD-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.84
Rot. Bonds3

About 2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol

2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol (PubChem CID 130648495) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol
PubChem CID130648495
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol
SMILESC=CC(C)NC1(C)CCCC1(C)O
InChIInChI=1S/C11H21NO/c1-5-9(2)12-10(3)7-6-8-11(10,4)13/h5,9,12-13H,1,6-8H2,2-4H3
InChIKeyMHOTXOVDTOZAMD-UHFFFAOYSA-N
XLogP1.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.84
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-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol (CID 130648495) is 2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol is C=CC(C)NC1(C)CCCC1(C)O.
What is the InChIKey of 2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol?
The InChIKey is MHOTXOVDTOZAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-9(2)12-10(3)7-6-8-11(10,4)13/h5,9,12-13H,1,6-8H2,2-4H3.
What are the key properties of 2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol?
2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130648495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).