N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine

C9H12N2O — CID 112714254

IUPACN-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine
SMILESCNC1c2cnoc2CC12CC2
InChIInChI=1S/C9H12N2O/c1-10-8-6-5-11-12-7(6)4-9(8)2-3-9/h5,8,10H,2-4H2,1H3
InChIKeyQBWFRTAQZDNSFX-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.27
Rot. Bonds1

About N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine

N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine (PubChem CID 112714254) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine.

Molecular Properties

Compound NameN-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine
PubChem CID112714254
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine
SMILESCNC1c2cnoc2CC12CC2
InChIInChI=1S/C9H12N2O/c1-10-8-6-5-11-12-7(6)4-9(8)2-3-9/h5,8,10H,2-4H2,1H3
InChIKeyQBWFRTAQZDNSFX-UHFFFAOYSA-N
XLogP1.27
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine?
The IUPAC name of N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine (CID 112714254) is N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine.
What is the SMILES notation for N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine?
The canonical SMILES for N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine is CNC1c2cnoc2CC12CC2.
What is the InChIKey of N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine?
The InChIKey is QBWFRTAQZDNSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-10-8-6-5-11-12-7(6)4-9(8)2-3-9/h5,8,10H,2-4H2,1H3.
What are the key properties of N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine?
N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine has a molecular weight of 164.21 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine is sourced from PubChem (CID 112714254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).