3-chloro-1-(methylamino)but-3-en-2-ol

C5H10ClNO — CID 55287460

IUPAC3-chloro-1-(methylamino)but-3-en-2-ol
SMILESC=C(Cl)C(O)CNC
InChIInChI=1S/C5H10ClNO/c1-4(6)5(8)3-7-2/h5,7-8H,1,3H2,2H3
InChIKeyCNIDTYZRLURXKV-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.32
Rot. Bonds3

About 3-chloro-1-(methylamino)but-3-en-2-ol

3-chloro-1-(methylamino)but-3-en-2-ol (PubChem CID 55287460) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is 3-chloro-1-(methylamino)but-3-en-2-ol.

Molecular Properties

Compound Name3-chloro-1-(methylamino)but-3-en-2-ol
PubChem CID55287460
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name3-chloro-1-(methylamino)but-3-en-2-ol
SMILESC=C(Cl)C(O)CNC
InChIInChI=1S/C5H10ClNO/c1-4(6)5(8)3-7-2/h5,7-8H,1,3H2,2H3
InChIKeyCNIDTYZRLURXKV-UHFFFAOYSA-N
XLogP0.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(methylamino)but-3-en-2-ol?
The IUPAC name of 3-chloro-1-(methylamino)but-3-en-2-ol (CID 55287460) is 3-chloro-1-(methylamino)but-3-en-2-ol.
What is the SMILES notation for 3-chloro-1-(methylamino)but-3-en-2-ol?
The canonical SMILES for 3-chloro-1-(methylamino)but-3-en-2-ol is C=C(Cl)C(O)CNC.
What is the InChIKey of 3-chloro-1-(methylamino)but-3-en-2-ol?
The InChIKey is CNIDTYZRLURXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO/c1-4(6)5(8)3-7-2/h5,7-8H,1,3H2,2H3.
What are the key properties of 3-chloro-1-(methylamino)but-3-en-2-ol?
3-chloro-1-(methylamino)but-3-en-2-ol has a molecular weight of 135.59 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(methylamino)but-3-en-2-ol is sourced from PubChem (CID 55287460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).