2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine

C10H22N2O — CID 145336247

IUPAC2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine
SMILESC/C=C\CNCCO.C1CCNC1
InChIInChI=1S/C6H13NO.C4H9N/c1-2-3-4-7-5-6-8;1-2-4-5-3-1/h2-3,7-8H,4-6H2,1H3;5H,1-4H2/b3-2-;
InChIKeyZWAHDUSWXQJGTF-OLGQORCHSA-N
MW186.30 g/mol
LogP0.51
Rot. Bonds4

About 2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine

2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine (PubChem CID 145336247) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine.

Molecular Properties

Compound Name2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine
PubChem CID145336247
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine
SMILESC/C=C\CNCCO.C1CCNC1
InChIInChI=1S/C6H13NO.C4H9N/c1-2-3-4-7-5-6-8;1-2-4-5-3-1/h2-3,7-8H,4-6H2,1H3;5H,1-4H2/b3-2-;
InChIKeyZWAHDUSWXQJGTF-OLGQORCHSA-N
XLogP0.51
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine?
The IUPAC name of 2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine (CID 145336247) is 2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine.
What is the SMILES notation for 2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine?
The canonical SMILES for 2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine is C/C=C\CNCCO.C1CCNC1.
What is the InChIKey of 2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine?
The InChIKey is ZWAHDUSWXQJGTF-OLGQORCHSA-N. The full InChI is InChI=1S/C6H13NO.C4H9N/c1-2-3-4-7-5-6-8;1-2-4-5-3-1/h2-3,7-8H,4-6H2,1H3;5H,1-4H2/b3-2-;.
What are the key properties of 2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine?
2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine has a molecular weight of 186.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-but-2-enyl]amino]ethanol;pyrrolidine is sourced from PubChem (CID 145336247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).