5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride

C10H11Cl2N — CID 126821230

IUPAC5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride
SMILESCl.NC1C2Cc3c(Cl)cccc3C12
InChIInChI=1S/C10H10ClN.ClH/c11-8-3-1-2-5-6(8)4-7-9(5)10(7)12;/h1-3,7,9-10H,4,12H2;1H
InChIKeyJAWBWUJJZLTWSM-UHFFFAOYSA-N
MW216.11 g/mol
LogP2.36
Rot. Bonds

About 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride

5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride (PubChem CID 126821230) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride
PubChem CID126821230
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride
SMILESCl.NC1C2Cc3c(Cl)cccc3C12
InChIInChI=1S/C10H10ClN.ClH/c11-8-3-1-2-5-6(8)4-7-9(5)10(7)12;/h1-3,7,9-10H,4,12H2;1H
InChIKeyJAWBWUJJZLTWSM-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride?
The IUPAC name of 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride (CID 126821230) is 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride.
What is the SMILES notation for 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride?
The canonical SMILES for 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride is Cl.NC1C2Cc3c(Cl)cccc3C12.
What is the InChIKey of 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride?
The InChIKey is JAWBWUJJZLTWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN.ClH/c11-8-3-1-2-5-6(8)4-7-9(5)10(7)12;/h1-3,7,9-10H,4,12H2;1H.
What are the key properties of 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride?
5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride has a molecular weight of 216.11 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride is sourced from PubChem (CID 126821230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).