1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one

C14H25N3O2 — CID 79116132

IUPAC1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one
SMILESCCN(CC(=O)N1CCCC1=O)C1CCC(N)CC1
InChIInChI=1S/C14H25N3O2/c1-2-16(12-7-5-11(15)6-8-12)10-14(19)17-9-3-4-13(17)18/h11-12H,2-10,15H2,1H3
InChIKeyWQNGQHQSJUCUCX-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.73
Rot. Bonds4

About 1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one

1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one (PubChem CID 79116132) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one
PubChem CID79116132
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one
SMILESCCN(CC(=O)N1CCCC1=O)C1CCC(N)CC1
InChIInChI=1S/C14H25N3O2/c1-2-16(12-7-5-11(15)6-8-12)10-14(19)17-9-3-4-13(17)18/h11-12H,2-10,15H2,1H3
InChIKeyWQNGQHQSJUCUCX-UHFFFAOYSA-N
XLogP0.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one (CID 79116132) is 1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one is CCN(CC(=O)N1CCCC1=O)C1CCC(N)CC1.
What is the InChIKey of 1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one?
The InChIKey is WQNGQHQSJUCUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-16(12-7-5-11(15)6-8-12)10-14(19)17-9-3-4-13(17)18/h11-12H,2-10,15H2,1H3.
What are the key properties of 1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one?
1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one has a molecular weight of 267.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 79116132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).