1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde

C9H17NO2 — CID 90788429

IUPAC1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde
SMILESCC(C)(C)OCN1CC(C=O)C1
InChIInChI=1S/C9H17NO2/c1-9(2,3)12-7-10-4-8(5-10)6-11/h6,8H,4-5,7H2,1-3H3
InChIKeySWYOHHRGBCWAAH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde

1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde (PubChem CID 90788429) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde
PubChem CID90788429
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde
SMILESCC(C)(C)OCN1CC(C=O)C1
InChIInChI=1S/C9H17NO2/c1-9(2,3)12-7-10-4-8(5-10)6-11/h6,8H,4-5,7H2,1-3H3
InChIKeySWYOHHRGBCWAAH-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 166905468
1,4-bis[(2-methylpropan-2-yl)oxymethyl]piperazine
CID 164817435
tert-butyl 3-formylazetidine-1-carboxylate;ethane;hydrate
CID 156709755
1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine
CID 139372320
6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-2-azaspiro[3.3]heptane
CID 145221794
1-ethylpyrrolidine-3-carbaldehyde
CID 84647972
(3R)-1-ethylpyrrolidine-3-carbaldehyde
CID 97182013
4-(2-bromoethyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 123168061
tert-butyl 2-[4-(3-formylazetidin-1-yl)cyclohexyl]acetate
CID 176906078
1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde
CID 57260487
2-[3-[(2-methylpropan-2-yl)oxymethyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 90738914
[1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone
CID 143614597

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde (CID 90788429) is 1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde is CC(C)(C)OCN1CC(C=O)C1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde?
The InChIKey is SWYOHHRGBCWAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)12-7-10-4-8(5-10)6-11/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde?
1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde has a molecular weight of 171.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde is sourced from PubChem (CID 90788429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).