3-[bis(prop-2-enyl)amino]but-3-en-1-ol

C10H17NO — CID 21024184

IUPAC3-[bis(prop-2-enyl)amino]but-3-en-1-ol
SMILESC=CCN(CC=C)C(=C)CCO
InChIInChI=1S/C10H17NO/c1-4-7-11(8-5-2)10(3)6-9-12/h4-5,12H,1-3,6-9H2
InChIKeyKELRCVWXQFMBGG-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.56
Rot. Bonds7

About 3-[bis(prop-2-enyl)amino]but-3-en-1-ol

3-[bis(prop-2-enyl)amino]but-3-en-1-ol (PubChem CID 21024184) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]but-3-en-1-ol.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]but-3-en-1-ol
PubChem CID21024184
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-[bis(prop-2-enyl)amino]but-3-en-1-ol
SMILESC=CCN(CC=C)C(=C)CCO
InChIInChI=1S/C10H17NO/c1-4-7-11(8-5-2)10(3)6-9-12/h4-5,12H,1-3,6-9H2
InChIKeyKELRCVWXQFMBGG-UHFFFAOYSA-N
XLogP1.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.56
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 3-[bis(prop-2-enyl)amino]but-3-en-1-ol?
The IUPAC name of 3-[bis(prop-2-enyl)amino]but-3-en-1-ol (CID 21024184) is 3-[bis(prop-2-enyl)amino]but-3-en-1-ol.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]but-3-en-1-ol?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]but-3-en-1-ol is C=CCN(CC=C)C(=C)CCO.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]but-3-en-1-ol?
The InChIKey is KELRCVWXQFMBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-7-11(8-5-2)10(3)6-9-12/h4-5,12H,1-3,6-9H2.
What are the key properties of 3-[bis(prop-2-enyl)amino]but-3-en-1-ol?
3-[bis(prop-2-enyl)amino]but-3-en-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]but-3-en-1-ol is sourced from PubChem (CID 21024184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).