[5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine

C9H12ClNO — CID 144636806

IUPAC[5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine
SMILESC=CC1=C(C(=C)Cl)OC(CN)C1
InChIInChI=1S/C9H12ClNO/c1-3-7-4-8(5-11)12-9(7)6(2)10/h3,8H,1-2,4-5,11H2
InChIKeyHTEXRMADKVMMAR-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.93
Rot. Bonds3

About [5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine

[5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine (PubChem CID 144636806) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is [5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine
PubChem CID144636806
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name[5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine
SMILESC=CC1=C(C(=C)Cl)OC(CN)C1
InChIInChI=1S/C9H12ClNO/c1-3-7-4-8(5-11)12-9(7)6(2)10/h3,8H,1-2,4-5,11H2
InChIKeyHTEXRMADKVMMAR-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine?
The IUPAC name of [5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine (CID 144636806) is [5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine.
What is the SMILES notation for [5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine?
The canonical SMILES for [5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine is C=CC1=C(C(=C)Cl)OC(CN)C1.
What is the InChIKey of [5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine?
The InChIKey is HTEXRMADKVMMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-3-7-4-8(5-11)12-9(7)6(2)10/h3,8H,1-2,4-5,11H2.
What are the key properties of [5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine?
[5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine has a molecular weight of 185.65 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-chloroethenyl)-4-ethenyl-2,3-dihydrofuran-2-yl]methanamine is sourced from PubChem (CID 144636806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).