3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one

C10H17N3O — CID 58765368

IUPAC3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one
SMILESN[C@@H]1CCCC[C@H]1NC1=CC(=O)NC1
InChIInChI=1S/C10H17N3O/c11-8-3-1-2-4-9(8)13-7-5-10(14)12-6-7/h5,8-9,13H,1-4,6,11H2,(H,12,14)/t8-,9-/m1/s1
InChIKeyZCGUVTAVRMRQOP-RKDXNWHRSA-N
MW195.27 g/mol
LogP-0.14
Rot. Bonds2

About 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one

3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one (PubChem CID 58765368) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one
PubChem CID58765368
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one
SMILESN[C@@H]1CCCC[C@H]1NC1=CC(=O)NC1
InChIInChI=1S/C10H17N3O/c11-8-3-1-2-4-9(8)13-7-5-10(14)12-6-7/h5,8-9,13H,1-4,6,11H2,(H,12,14)/t8-,9-/m1/s1
InChIKeyZCGUVTAVRMRQOP-RKDXNWHRSA-N
XLogP-0.14
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one (CID 58765368) is 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one is N[C@@H]1CCCC[C@H]1NC1=CC(=O)NC1.
What is the InChIKey of 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one?
The InChIKey is ZCGUVTAVRMRQOP-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17N3O/c11-8-3-1-2-4-9(8)13-7-5-10(14)12-6-7/h5,8-9,13H,1-4,6,11H2,(H,12,14)/t8-,9-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one?
3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one has a molecular weight of 195.27 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 58765368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).