(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide

C16H28N2O3 — CID 124886318

IUPAC(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide
SMILESC=CCOCCNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C16H28N2O3/c1-2-11-21-12-9-17-16(20)18-10-5-7-14(18)13-6-3-4-8-15(13)19/h2,13-15,19H,1,3-12H2,(H,17,20)/t13-,14+,15+/m0/s1
InChIKeyFXVUOFQOYYHYTC-RRFJBIMHSA-N
MW296.41 g/mol
LogP1.91
Rot. Bonds6

About (2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide

(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide (PubChem CID 124886318) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide
PubChem CID124886318
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide
SMILESC=CCOCCNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C16H28N2O3/c1-2-11-21-12-9-17-16(20)18-10-5-7-14(18)13-6-3-4-8-15(13)19/h2,13-15,19H,1,3-12H2,(H,17,20)/t13-,14+,15+/m0/s1
InChIKeyFXVUOFQOYYHYTC-RRFJBIMHSA-N
XLogP1.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide (CID 124886318) is (2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide is C=CCOCCNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O.
What is the InChIKey of (2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide?
The InChIKey is FXVUOFQOYYHYTC-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-11-21-12-9-17-16(20)18-10-5-7-14(18)13-6-3-4-8-15(13)19/h2,13-15,19H,1,3-12H2,(H,17,20)/t13-,14+,15+/m0/s1.
What are the key properties of (2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide?
(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2R)-2-hydroxycyclohexyl]-N-(2-prop-2-enoxyethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124886318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).