(3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol

C9H16N2O — CID 130678917

IUPAC(3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1NC1CC=CC1
InChIInChI=1S/C9H16N2O/c12-9-6-10-5-8(9)11-7-3-1-2-4-7/h1-2,7-12H,3-6H2/t8-,9-/m1/s1
InChIKeyAPOHGRDNUIWDJG-RKDXNWHRSA-N
MW168.24 g/mol
LogP-0.37
Rot. Bonds2

About (3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol

(3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol (PubChem CID 130678917) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol
PubChem CID130678917
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1NC1CC=CC1
InChIInChI=1S/C9H16N2O/c12-9-6-10-5-8(9)11-7-3-1-2-4-7/h1-2,7-12H,3-6H2/t8-,9-/m1/s1
InChIKeyAPOHGRDNUIWDJG-RKDXNWHRSA-N
XLogP-0.37
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-4-(cyclobutylamino)pyrrolidin-3-ol
CID 126847135
trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol
CID 102731668
(3S,4S)-4-(methylamino)pyrrolidin-3-ol
CID 59440456
(3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol
CID 131086426
4-(azetidin-3-ylamino)oxolan-3-ol
CID 126856880
(3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol
CID 126846702
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
CID 58396031
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride
CID 67315196
(4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone
CID 25097535
(3R,5R)-piperidine-3,4,5-triol
CID 10464382
N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine
CID 127015746
(3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol
CID 126847034

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol (CID 130678917) is (3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol is O[C@@H]1CNC[C@H]1NC1CC=CC1.
What is the InChIKey of (3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol?
The InChIKey is APOHGRDNUIWDJG-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9-6-10-5-8(9)11-7-3-1-2-4-7/h1-2,7-12H,3-6H2/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol?
(3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol has a molecular weight of 168.24 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol is sourced from PubChem (CID 130678917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).