(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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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).