azane;1-chloroprop-2-en-1-ol

C3H8ClNO — CID 118499684

IUPACazane;1-chloroprop-2-en-1-ol
SMILESC=CC(O)Cl.N
InChIInChI=1S/C3H5ClO.H3N/c1-2-3(4)5;/h2-3,5H,1H2;1H3
InChIKeyXFROCFSISZJBEL-UHFFFAOYSA-N
MW109.56 g/mol
LogP0.89
Rot. Bonds1

About azane;1-chloroprop-2-en-1-ol

azane;1-chloroprop-2-en-1-ol (PubChem CID 118499684) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is azane;1-chloroprop-2-en-1-ol.

Molecular Properties

Compound Nameazane;1-chloroprop-2-en-1-ol
PubChem CID118499684
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC Nameazane;1-chloroprop-2-en-1-ol
SMILESC=CC(O)Cl.N
InChIInChI=1S/C3H5ClO.H3N/c1-2-3(4)5;/h2-3,5H,1H2;1H3
InChIKeyXFROCFSISZJBEL-UHFFFAOYSA-N
XLogP0.89
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-hexa-1,5-diene-3,4-diol
CID 15562511
3-chloropenta-1,4-diene;silane
CID 174807619
hexakis(prop-2-ene-1,1-diol);zinc;hydrate
CID 177286598
1,1,1-trichlorobut-3-en-2-ol
CID 12693686
azane;4-methylpent-1-en-3-ol
CID 175575018
(3R,5R)-hepta-1,6-diene-3,5-diol
CID 11480453
1-(1-hydroxyprop-2-enoxy)prop-2-en-1-ol
CID 22251489
4-ethenylhexa-1,5-dien-3-ol
CID 15402805
(3S,4R,5E)-hepta-1,5-diene-3,4-diol
CID 131234166
4-chlorohexa-1,4-dien-3-ol
CID 74377568
1-chlorobut-3-en-2-ol;chlorosilane
CID 173391675
dichloro-hydroxy-propan-2-ylphosphanium
CID 88598188

Frequently Asked Questions

What is the IUPAC name of azane;1-chloroprop-2-en-1-ol?
The IUPAC name of azane;1-chloroprop-2-en-1-ol (CID 118499684) is azane;1-chloroprop-2-en-1-ol.
What is the SMILES notation for azane;1-chloroprop-2-en-1-ol?
The canonical SMILES for azane;1-chloroprop-2-en-1-ol is C=CC(O)Cl.N.
What is the InChIKey of azane;1-chloroprop-2-en-1-ol?
The InChIKey is XFROCFSISZJBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.H3N/c1-2-3(4)5;/h2-3,5H,1H2;1H3.
What are the key properties of azane;1-chloroprop-2-en-1-ol?
azane;1-chloroprop-2-en-1-ol has a molecular weight of 109.56 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-chloroprop-2-en-1-ol is sourced from PubChem (CID 118499684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).