1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine

C11H11ClN2 — CID 84779300

IUPAC1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine
SMILESNC1(c2ccc3[nH]cc(Cl)c3c2)CC1
InChIInChI=1S/C11H11ClN2/c12-9-6-14-10-2-1-7(5-8(9)10)11(13)3-4-11/h1-2,5-6,14H,3-4,13H2
InChIKeyWILRIYOOAZAPII-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.77
Rot. Bonds1

About 1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine

1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine (PubChem CID 84779300) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine
PubChem CID84779300
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine
SMILESNC1(c2ccc3[nH]cc(Cl)c3c2)CC1
InChIInChI=1S/C11H11ClN2/c12-9-6-14-10-2-1-7(5-8(9)10)11(13)3-4-11/h1-2,5-6,14H,3-4,13H2
InChIKeyWILRIYOOAZAPII-UHFFFAOYSA-N
XLogP2.77
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine (CID 84779300) is 1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine is NC1(c2ccc3[nH]cc(Cl)c3c2)CC1.
What is the InChIKey of 1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine?
The InChIKey is WILRIYOOAZAPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-9-6-14-10-2-1-7(5-8(9)10)11(13)3-4-11/h1-2,5-6,14H,3-4,13H2.
What are the key properties of 1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine?
1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine has a molecular weight of 206.68 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 84779300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).