(1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

C10H17NO — CID 170374659

IUPAC(1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC1(CN2C[C@@H]3CC2CO3)CC1
InChIInChI=1S/C10H17NO/c1-10(2-3-10)7-11-5-9-4-8(11)6-12-9/h8-9H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyNNMYXVUDBPYHDF-GKAPJAKFSA-N
MW167.25 g/mol
LogP1.26
Rot. Bonds2

About (1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

(1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 170374659) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID170374659
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC1(CN2C[C@@H]3CC2CO3)CC1
InChIInChI=1S/C10H17NO/c1-10(2-3-10)7-11-5-9-4-8(11)6-12-9/h8-9H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyNNMYXVUDBPYHDF-GKAPJAKFSA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 170374659) is (1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is CC1(CN2C[C@@H]3CC2CO3)CC1.
What is the InChIKey of (1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is NNMYXVUDBPYHDF-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2-3-10)7-11-5-9-4-8(11)6-12-9/h8-9H,2-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of (1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
(1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 167.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 170374659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).