1-(prop-2-enylamino)propan-1-ol

C6H13NO — CID 57307295

IUPAC1-(prop-2-enylamino)propan-1-ol
SMILESC=CCNC(O)CC
InChIInChI=1S/C6H13NO/c1-3-5-7-6(8)4-2/h3,6-8H,1,4-5H2,2H3
InChIKeyBVIXCDZRYNBKEK-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.49
Rot. Bonds4

About 1-(prop-2-enylamino)propan-1-ol

1-(prop-2-enylamino)propan-1-ol (PubChem CID 57307295) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-(prop-2-enylamino)propan-1-ol.

Molecular Properties

Compound Name1-(prop-2-enylamino)propan-1-ol
PubChem CID57307295
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-(prop-2-enylamino)propan-1-ol
SMILESC=CCNC(O)CC
InChIInChI=1S/C6H13NO/c1-3-5-7-6(8)4-2/h3,6-8H,1,4-5H2,2H3
InChIKeyBVIXCDZRYNBKEK-UHFFFAOYSA-N
XLogP0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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)propan-1-ol?
The IUPAC name of 1-(prop-2-enylamino)propan-1-ol (CID 57307295) is 1-(prop-2-enylamino)propan-1-ol.
What is the SMILES notation for 1-(prop-2-enylamino)propan-1-ol?
The canonical SMILES for 1-(prop-2-enylamino)propan-1-ol is C=CCNC(O)CC.
What is the InChIKey of 1-(prop-2-enylamino)propan-1-ol?
The InChIKey is BVIXCDZRYNBKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-5-7-6(8)4-2/h3,6-8H,1,4-5H2,2H3.
What are the key properties of 1-(prop-2-enylamino)propan-1-ol?
1-(prop-2-enylamino)propan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)propan-1-ol is sourced from PubChem (CID 57307295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).