1-(prop-2-enylamino)but-3-en-2-ol

C7H13NO — CID 55287177

IUPAC1-(prop-2-enylamino)but-3-en-2-ol
SMILESC=CCNCC(O)C=C
InChIInChI=1S/C7H13NO/c1-3-5-8-6-7(9)4-2/h3-4,7-9H,1-2,5-6H2
InChIKeyZMMLAJFADRIISE-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.31
Rot. Bonds5

About 1-(prop-2-enylamino)but-3-en-2-ol

1-(prop-2-enylamino)but-3-en-2-ol (PubChem CID 55287177) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(prop-2-enylamino)but-3-en-2-ol.

Molecular Properties

Compound Name1-(prop-2-enylamino)but-3-en-2-ol
PubChem CID55287177
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(prop-2-enylamino)but-3-en-2-ol
SMILESC=CCNCC(O)C=C
InChIInChI=1S/C7H13NO/c1-3-5-8-6-7(9)4-2/h3-4,7-9H,1-2,5-6H2
InChIKeyZMMLAJFADRIISE-UHFFFAOYSA-N
XLogP0.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(prop-2-enylamino)but-3-en-2-ol?
The IUPAC name of 1-(prop-2-enylamino)but-3-en-2-ol (CID 55287177) is 1-(prop-2-enylamino)but-3-en-2-ol.
What is the SMILES notation for 1-(prop-2-enylamino)but-3-en-2-ol?
The canonical SMILES for 1-(prop-2-enylamino)but-3-en-2-ol is C=CCNCC(O)C=C.
What is the InChIKey of 1-(prop-2-enylamino)but-3-en-2-ol?
The InChIKey is ZMMLAJFADRIISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-5-8-6-7(9)4-2/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 1-(prop-2-enylamino)but-3-en-2-ol?
1-(prop-2-enylamino)but-3-en-2-ol has a molecular weight of 127.19 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)but-3-en-2-ol is sourced from PubChem (CID 55287177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).