5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine

C10H11ClN2O — CID 154520253

IUPAC5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CCC(N)(c2ccoc2)C(Cl)=C1
InChIInChI=1S/C10H11ClN2O/c11-9-5-8(12)1-3-10(9,13)7-2-4-14-6-7/h1-2,4-6H,3,12-13H2
InChIKeyIMNJXUIGYHNUDU-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.80
Rot. Bonds1

About 5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine

5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 154520253) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID154520253
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CCC(N)(c2ccoc2)C(Cl)=C1
InChIInChI=1S/C10H11ClN2O/c11-9-5-8(12)1-3-10(9,13)7-2-4-14-6-7/h1-2,4-6H,3,12-13H2
InChIKeyIMNJXUIGYHNUDU-UHFFFAOYSA-N
XLogP1.80
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine (CID 154520253) is 5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine is NC1=CCC(N)(c2ccoc2)C(Cl)=C1.
What is the InChIKey of 5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is IMNJXUIGYHNUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-9-5-8(12)1-3-10(9,13)7-2-4-14-6-7/h1-2,4-6H,3,12-13H2.
What are the key properties of 5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine?
5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 210.66 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(furan-3-yl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 154520253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).