1-[bis(prop-2-enyl)amino]pent-4-en-2-ol

C11H19NO — CID 88505306

IUPAC1-[bis(prop-2-enyl)amino]pent-4-en-2-ol
SMILESC=CCC(O)CN(CC=C)CC=C
InChIInChI=1S/C11H19NO/c1-4-7-11(13)10-12(8-5-2)9-6-3/h4-6,11,13H,1-3,7-10H2
InChIKeyWXWPJSBQRLGVGN-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.60
Rot. Bonds8

About 1-[bis(prop-2-enyl)amino]pent-4-en-2-ol

1-[bis(prop-2-enyl)amino]pent-4-en-2-ol (PubChem CID 88505306) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)amino]pent-4-en-2-ol.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)amino]pent-4-en-2-ol
PubChem CID88505306
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[bis(prop-2-enyl)amino]pent-4-en-2-ol
SMILESC=CCC(O)CN(CC=C)CC=C
InChIInChI=1S/C11H19NO/c1-4-7-11(13)10-12(8-5-2)9-6-3/h4-6,11,13H,1-3,7-10H2
InChIKeyWXWPJSBQRLGVGN-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
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 1-[bis(prop-2-enyl)amino]pent-4-en-2-ol?
The IUPAC name of 1-[bis(prop-2-enyl)amino]pent-4-en-2-ol (CID 88505306) is 1-[bis(prop-2-enyl)amino]pent-4-en-2-ol.
What is the SMILES notation for 1-[bis(prop-2-enyl)amino]pent-4-en-2-ol?
The canonical SMILES for 1-[bis(prop-2-enyl)amino]pent-4-en-2-ol is C=CCC(O)CN(CC=C)CC=C.
What is the InChIKey of 1-[bis(prop-2-enyl)amino]pent-4-en-2-ol?
The InChIKey is WXWPJSBQRLGVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-7-11(13)10-12(8-5-2)9-6-3/h4-6,11,13H,1-3,7-10H2.
What are the key properties of 1-[bis(prop-2-enyl)amino]pent-4-en-2-ol?
1-[bis(prop-2-enyl)amino]pent-4-en-2-ol has a molecular weight of 181.28 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)amino]pent-4-en-2-ol is sourced from PubChem (CID 88505306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).