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

C10H17N3O — CID 141154511

IUPAC1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one
SMILESN[C@@H]1CCCC[C@H]1NN1CC=CC1=O
InChIInChI=1S/C10H17N3O/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/t8-,9-/m1/s1
InChIKeyPWDPRAITDQFDQX-RKDXNWHRSA-N
MW195.27 g/mol
LogP0.16
Rot. Bonds2

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

1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one (PubChem CID 141154511) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one
PubChem CID141154511
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one
SMILESN[C@@H]1CCCC[C@H]1NN1CC=CC1=O
InChIInChI=1S/C10H17N3O/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/t8-,9-/m1/s1
InChIKeyPWDPRAITDQFDQX-RKDXNWHRSA-N
XLogP0.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.16
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?
The IUPAC name of 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one (CID 141154511) is 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one.
What is the SMILES notation for 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one?
The canonical SMILES for 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one is N[C@@H]1CCCC[C@H]1NN1CC=CC1=O.
What is the InChIKey of 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one?
The InChIKey is PWDPRAITDQFDQX-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17N3O/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/t8-,9-/m1/s1.
What are the key properties of 1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one?
1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one has a molecular weight of 195.27 g/mol, XLogP of 0.16, 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 is sourced from PubChem (CID 141154511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).