(5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C17H21ClN2O2 — CID 99107522

IUPAC(5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C17H21ClN2O2/c18-13-3-1-2-12(8-13)14-9-15(14)19-16(21)20-6-4-17(10-20)5-7-22-11-17/h1-3,8,14-15H,4-7,9-11H2,(H,19,21)/t14-,15-,17-/m1/s1
InChIKeyDCAPVOQDNHYGCJ-BFYDXBDKSA-N
MW320.82 g/mol
LogP3.02
Rot. Bonds2

About (5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 99107522) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is (5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID99107522
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name(5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C17H21ClN2O2/c18-13-3-1-2-12(8-13)14-9-15(14)19-16(21)20-6-4-17(10-20)5-7-22-11-17/h1-3,8,14-15H,4-7,9-11H2,(H,19,21)/t14-,15-,17-/m1/s1
InChIKeyDCAPVOQDNHYGCJ-BFYDXBDKSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 99107522) is (5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CC[C@@]2(CCOC2)C1.
What is the InChIKey of (5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is DCAPVOQDNHYGCJ-BFYDXBDKSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-13-3-1-2-12(8-13)14-9-15(14)19-16(21)20-6-4-17(10-20)5-7-22-11-17/h1-3,8,14-15H,4-7,9-11H2,(H,19,21)/t14-,15-,17-/m1/s1.
What are the key properties of (5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 99107522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).