(E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol

C7H13NO — CID 163709221

IUPAC(E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol
SMILESC=C(CC)N/C=C(\C)O
InChIInChI=1S/C7H13NO/c1-4-6(2)8-5-7(3)9/h5,8-9H,2,4H2,1,3H3/b7-5+
InChIKeyKHSYDLDHAMNRHU-FNORWQNLSA-N
MW127.19 g/mol
LogP1.92
Rot. Bonds3

About (E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol

(E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol (PubChem CID 163709221) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol.

Molecular Properties

Compound Name(E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol
PubChem CID163709221
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol
SMILESC=C(CC)N/C=C(\C)O
InChIInChI=1S/C7H13NO/c1-4-6(2)8-5-7(3)9/h5,8-9H,2,4H2,1,3H3/b7-5+
InChIKeyKHSYDLDHAMNRHU-FNORWQNLSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol?
The IUPAC name of (E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol (CID 163709221) is (E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol.
What is the SMILES notation for (E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol?
The canonical SMILES for (E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol is C=C(CC)N/C=C(\C)O.
What is the InChIKey of (E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol?
The InChIKey is KHSYDLDHAMNRHU-FNORWQNLSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6(2)8-5-7(3)9/h5,8-9H,2,4H2,1,3H3/b7-5+.
What are the key properties of (E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol?
(E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(but-1-en-2-ylamino)prop-1-en-2-ol is sourced from PubChem (CID 163709221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).