1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one

C14H17N3O — CID 43646468

IUPAC1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one
SMILESNCC1CCCC1n1ncc(=O)c2ccccc21
InChIInChI=1S/C14H17N3O/c15-8-10-4-3-7-12(10)17-13-6-2-1-5-11(13)14(18)9-16-17/h1-2,5-6,9-10,12H,3-4,7-8,15H2
InChIKeyYEINCTKOPYEIKF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.70
Rot. Bonds2

About 1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one

1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one (PubChem CID 43646468) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one
PubChem CID43646468
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one
SMILESNCC1CCCC1n1ncc(=O)c2ccccc21
InChIInChI=1S/C14H17N3O/c15-8-10-4-3-7-12(10)17-13-6-2-1-5-11(13)14(18)9-16-17/h1-2,5-6,9-10,12H,3-4,7-8,15H2
InChIKeyYEINCTKOPYEIKF-UHFFFAOYSA-N
XLogP1.70
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one?
The IUPAC name of 1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one (CID 43646468) is 1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one?
The canonical SMILES for 1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one is NCC1CCCC1n1ncc(=O)c2ccccc21.
What is the InChIKey of 1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one?
The InChIKey is YEINCTKOPYEIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-8-10-4-3-7-12(10)17-13-6-2-1-5-11(13)14(18)9-16-17/h1-2,5-6,9-10,12H,3-4,7-8,15H2.
What are the key properties of 1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one?
1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one has a molecular weight of 243.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one is sourced from PubChem (CID 43646468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).