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

C8H12ClNO — CID 123641113

IUPAC[5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine
SMILESC=C(Cl)C1=C(C)CC(CN)O1
InChIInChI=1S/C8H12ClNO/c1-5-3-7(4-10)11-8(5)6(2)9/h7H,2-4,10H2,1H3
InChIKeyHFUHYPFBPPDHIC-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.76
Rot. Bonds2

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

[5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine (PubChem CID 123641113) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is [5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine
PubChem CID123641113
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name[5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine
SMILESC=C(Cl)C1=C(C)CC(CN)O1
InChIInChI=1S/C8H12ClNO/c1-5-3-7(4-10)11-8(5)6(2)9/h7H,2-4,10H2,1H3
InChIKeyHFUHYPFBPPDHIC-UHFFFAOYSA-N
XLogP1.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.76
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-methyl-2,3-dihydrofuran-2-yl]methanamine?
The IUPAC name of [5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine (CID 123641113) is [5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine.
What is the SMILES notation for [5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine?
The canonical SMILES for [5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine is C=C(Cl)C1=C(C)CC(CN)O1.
What is the InChIKey of [5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine?
The InChIKey is HFUHYPFBPPDHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO/c1-5-3-7(4-10)11-8(5)6(2)9/h7H,2-4,10H2,1H3.
What are the key properties of [5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine?
[5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine has a molecular weight of 173.64 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-chloroethenyl)-4-methyl-2,3-dihydrofuran-2-yl]methanamine is sourced from PubChem (CID 123641113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).