2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane

C9H18N2O — CID 117225935

IUPAC2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane
SMILESCN1CCCC1C1NCCCO1
InChIInChI=1S/C9H18N2O/c1-11-6-2-4-8(11)9-10-5-3-7-12-9/h8-10H,2-7H2,1H3
InChIKeyDHSMBMSHRXDWSP-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.42
Rot. Bonds1

About 2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane

2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane (PubChem CID 117225935) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane
PubChem CID117225935
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane
SMILESCN1CCCC1C1NCCCO1
InChIInChI=1S/C9H18N2O/c1-11-6-2-4-8(11)9-10-5-3-7-12-9/h8-10H,2-7H2,1H3
InChIKeyDHSMBMSHRXDWSP-UHFFFAOYSA-N
XLogP0.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane (CID 117225935) is 2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane is CN1CCCC1C1NCCCO1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane?
The InChIKey is DHSMBMSHRXDWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11-6-2-4-8(11)9-10-5-3-7-12-9/h8-10H,2-7H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane?
2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane has a molecular weight of 170.26 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane is sourced from PubChem (CID 117225935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).