(4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C11H18N2O2 — CID 107217826

IUPAC(4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNC1C=CC(C(=O)N2CCC[C@@H]2CO)C1
InChIInChI=1S/C11H18N2O2/c12-9-4-3-8(6-9)11(15)13-5-1-2-10(13)7-14/h3-4,8-10,14H,1-2,5-7,12H2/t8?,9?,10-/m1/s1
InChIKeyRJFGMRQFSWCIJE-UDNWOFFPSA-N
MW210.28 g/mol
LogP-0.13
Rot. Bonds2

About (4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 107217826) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID107217826
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNC1C=CC(C(=O)N2CCC[C@@H]2CO)C1
InChIInChI=1S/C11H18N2O2/c12-9-4-3-8(6-9)11(15)13-5-1-2-10(13)7-14/h3-4,8-10,14H,1-2,5-7,12H2/t8?,9?,10-/m1/s1
InChIKeyRJFGMRQFSWCIJE-UDNWOFFPSA-N
XLogP-0.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 79211356
(4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780576
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
(2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107218042
2-[4-(4-aminocyclopent-2-ene-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 79206973
(3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62781610
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 45259039
6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 107214343
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
(2-aminocyclopentyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634506

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 107217826) is (4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is NC1C=CC(C(=O)N2CCC[C@@H]2CO)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RJFGMRQFSWCIJE-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-9-4-3-8(6-9)11(15)13-5-1-2-10(13)7-14/h3-4,8-10,14H,1-2,5-7,12H2/t8?,9?,10-/m1/s1.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 210.28 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 107217826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).