(5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one

C7H11ClN2O3 — CID 176853024

IUPAC(5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one
SMILESO=C1NC[C@@]2(COCCN(Cl)C2)O1
InChIInChI=1S/C7H11ClN2O3/c8-10-1-2-12-5-7(4-10)3-9-6(11)13-7/h1-5H2,(H,9,11)/t7-/m1/s1
InChIKeyWOPNGUHJTWTYLG-SSDOTTSWSA-N
MW206.63 g/mol
LogP-0.05
Rot. Bonds

About (5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one

(5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one (PubChem CID 176853024) has the molecular formula C7H11ClN2O3 and a molecular weight of 206.63 g/mol. Its IUPAC name is (5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one
PubChem CID176853024
Molecular FormulaC7H11ClN2O3
Molecular Weight206.63 g/mol
Exact Mass206.05
IUPAC Name(5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one
SMILESO=C1NC[C@@]2(COCCN(Cl)C2)O1
InChIInChI=1S/C7H11ClN2O3/c8-10-1-2-12-5-7(4-10)3-9-6(11)13-7/h1-5H2,(H,9,11)/t7-/m1/s1
InChIKeyWOPNGUHJTWTYLG-SSDOTTSWSA-N
XLogP-0.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one (CID 176853024) is (5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one is O=C1NC[C@@]2(COCCN(Cl)C2)O1.
What is the InChIKey of (5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one?
The InChIKey is WOPNGUHJTWTYLG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11ClN2O3/c8-10-1-2-12-5-7(4-10)3-9-6(11)13-7/h1-5H2,(H,9,11)/t7-/m1/s1.
What are the key properties of (5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one?
(5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one has a molecular weight of 206.63 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-chloro-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 176853024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).