1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine

C8H10ClNO — CID 83682936

IUPAC1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(Cl)o2)CC1
InChIInChI=1S/C8H10ClNO/c9-7-2-1-6(11-7)5-8(10)3-4-8/h1-2H,3-5,10H2
InChIKeyDBZFFCBDVIQGKJ-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.97
Rot. Bonds2

About 1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine

1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine (PubChem CID 83682936) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine
PubChem CID83682936
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(Cl)o2)CC1
InChIInChI=1S/C8H10ClNO/c9-7-2-1-6(11-7)5-8(10)3-4-8/h1-2H,3-5,10H2
InChIKeyDBZFFCBDVIQGKJ-UHFFFAOYSA-N
XLogP1.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine (CID 83682936) is 1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine is NC1(Cc2ccc(Cl)o2)CC1.
What is the InChIKey of 1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine?
The InChIKey is DBZFFCBDVIQGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c9-7-2-1-6(11-7)5-8(10)3-4-8/h1-2H,3-5,10H2.
What are the key properties of 1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine?
1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine has a molecular weight of 171.63 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 83682936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).