(Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane

C12H19Cl2N — CID 143403301

IUPAC(Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane
SMILESC/C(Cl)=C/Cl.C=C(C)[C@@]12CC1CN[C@@H]2C
InChIInChI=1S/C9H15N.C3H4Cl2/c1-6(2)9-4-8(9)5-10-7(9)3;1-3(5)2-4/h7-8,10H,1,4-5H2,2-3H3;2H,1H3/b;3-2-/t7-,8?,9-;/m1./s1
InChIKeyASJYSRNUNLMEAT-APIXRQMESA-N
MW248.20 g/mol
LogP3.89
Rot. Bonds1

About (Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane

(Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 143403301) has the molecular formula C12H19Cl2N and a molecular weight of 248.20 g/mol. Its IUPAC name is (Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID143403301
Molecular FormulaC12H19Cl2N
Molecular Weight248.20 g/mol
Exact Mass247.09
IUPAC Name(Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane
SMILESC/C(Cl)=C/Cl.C=C(C)[C@@]12CC1CN[C@@H]2C
InChIInChI=1S/C9H15N.C3H4Cl2/c1-6(2)9-4-8(9)5-10-7(9)3;1-3(5)2-4/h7-8,10H,1,4-5H2,2-3H3;2H,1H3/b;3-2-/t7-,8?,9-;/m1./s1
InChIKeyASJYSRNUNLMEAT-APIXRQMESA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane (CID 143403301) is (Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane is C/C(Cl)=C/Cl.C=C(C)[C@@]12CC1CN[C@@H]2C.
What is the InChIKey of (Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is ASJYSRNUNLMEAT-APIXRQMESA-N. The full InChI is InChI=1S/C9H15N.C3H4Cl2/c1-6(2)9-4-8(9)5-10-7(9)3;1-3(5)2-4/h7-8,10H,1,4-5H2,2-3H3;2H,1H3/b;3-2-/t7-,8?,9-;/m1./s1.
What are the key properties of (Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane?
(Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 248.20 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-dichloroprop-1-ene;(1R,2R)-2-methyl-1-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 143403301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).