1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride

C10H18ClN3O — CID 141154513

IUPAC1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride
SMILESCl.N[C@@H]1CCCC[C@H]1NN1CC=CC1=O
InChIInChI=1S/C10H17N3O.ClH/c11-8-4-1-2-5-9(8)12-13-7-3-6-10(13)14;/h3,6,8-9,12H,1-2,4-5,7,11H2;1H/t8-,9-;/m1./s1
InChIKeyZSBCFRQEZZHJIB-VTLYIQCISA-N
MW231.73 g/mol
LogP0.58
Rot. Bonds2

About 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride

1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride (PubChem CID 141154513) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride.

Molecular Properties

Compound Name1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride
PubChem CID141154513
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride
SMILESCl.N[C@@H]1CCCC[C@H]1NN1CC=CC1=O
InChIInChI=1S/C10H17N3O.ClH/c11-8-4-1-2-5-9(8)12-13-7-3-6-10(13)14;/h3,6,8-9,12H,1-2,4-5,7,11H2;1H/t8-,9-;/m1./s1
InChIKeyZSBCFRQEZZHJIB-VTLYIQCISA-N
XLogP0.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride?
The IUPAC name of 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride (CID 141154513) is 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride.
What is the SMILES notation for 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride?
The canonical SMILES for 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride is Cl.N[C@@H]1CCCC[C@H]1NN1CC=CC1=O.
What is the InChIKey of 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride?
The InChIKey is ZSBCFRQEZZHJIB-VTLYIQCISA-N. The full InChI is InChI=1S/C10H17N3O.ClH/c11-8-4-1-2-5-9(8)12-13-7-3-6-10(13)14;/h3,6,8-9,12H,1-2,4-5,7,11H2;1H/t8-,9-;/m1./s1.
What are the key properties of 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride?
1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride has a molecular weight of 231.73 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride is sourced from PubChem (CID 141154513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).