acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane

C10H18ClN — CID 169205360

IUPACacetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane
SMILESC#C.C/C=C\N=C(/C)CCl.CC
InChIInChI=1S/C6H10ClN.C2H6.C2H2/c1-3-4-8-6(2)5-7;2*1-2/h3-4H,5H2,1-2H3;1-2H3;1-2H/b4-3-,8-6+;;
InChIKeyLZLLKHMQLCPNOX-NNZXMICFSA-N
MW187.71 g/mol
LogP3.50
Rot. Bonds2

About acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane

acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane (PubChem CID 169205360) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane.

Molecular Properties

Compound Nameacetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane
PubChem CID169205360
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Nameacetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane
SMILESC#C.C/C=C\N=C(/C)CCl.CC
InChIInChI=1S/C6H10ClN.C2H6.C2H2/c1-3-4-8-6(2)5-7;2*1-2/h3-4H,5H2,1-2H3;1-2H3;1-2H/b4-3-,8-6+;;
InChIKeyLZLLKHMQLCPNOX-NNZXMICFSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane?
The IUPAC name of acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane (CID 169205360) is acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane.
What is the SMILES notation for acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane?
The canonical SMILES for acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane is C#C.C/C=C\N=C(/C)CCl.CC.
What is the InChIKey of acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane?
The InChIKey is LZLLKHMQLCPNOX-NNZXMICFSA-N. The full InChI is InChI=1S/C6H10ClN.C2H6.C2H2/c1-3-4-8-6(2)5-7;2*1-2/h3-4H,5H2,1-2H3;1-2H3;1-2H/b4-3-,8-6+;;.
What are the key properties of acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane?
acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane has a molecular weight of 187.71 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane is sourced from PubChem (CID 169205360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).