N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide

C9H18N2O2 — CID 87389368

IUPACN-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide
SMILESCC(C)(C)ON(C=O)[C@@H]1CCNC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-11(7-12)8-4-5-10-6-8/h7-8,10H,4-6H2,1-3H3/t8-/m1/s1
InChIKeySHGYZXXLTCPRKL-MRVPVSSYSA-N
MW186.25 g/mol
LogP0.54
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide

N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide (PubChem CID 87389368) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide
PubChem CID87389368
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide
SMILESCC(C)(C)ON(C=O)[C@@H]1CCNC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-11(7-12)8-4-5-10-6-8/h7-8,10H,4-6H2,1-3H3/t8-/m1/s1
InChIKeySHGYZXXLTCPRKL-MRVPVSSYSA-N
XLogP0.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide (CID 87389368) is N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide is CC(C)(C)ON(C=O)[C@@H]1CCNC1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide?
The InChIKey is SHGYZXXLTCPRKL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)13-11(7-12)8-4-5-10-6-8/h7-8,10H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide?
N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide has a molecular weight of 186.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-N-[(3R)-pyrrolidin-3-yl]formamide is sourced from PubChem (CID 87389368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).