(2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane

C12H23NO — CID 176594397

IUPAC(2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane
SMILESCC(C)N1CCCO[C@](C)(C2CC2)C1
InChIInChI=1S/C12H23NO/c1-10(2)13-7-4-8-14-12(3,9-13)11-5-6-11/h10-11H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyJZQCQYAMEZKVSR-LBPRGKRZSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds2

About (2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane

(2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane (PubChem CID 176594397) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane
PubChem CID176594397
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane
SMILESCC(C)N1CCCO[C@](C)(C2CC2)C1
InChIInChI=1S/C12H23NO/c1-10(2)13-7-4-8-14-12(3,9-13)11-5-6-11/h10-11H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyJZQCQYAMEZKVSR-LBPRGKRZSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane
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3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane?
The IUPAC name of (2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane (CID 176594397) is (2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane.
What is the SMILES notation for (2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane?
The canonical SMILES for (2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane is CC(C)N1CCCO[C@](C)(C2CC2)C1.
What is the InChIKey of (2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane?
The InChIKey is JZQCQYAMEZKVSR-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13-7-4-8-14-12(3,9-13)11-5-6-11/h10-11H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane?
(2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane has a molecular weight of 197.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 176594397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).