2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile

C10H16N2O — CID 130693341

IUPAC2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile
SMILESCC1(CN2CC(O)(CC#N)C2)CC1
InChIInChI=1S/C10H16N2O/c1-9(2-3-9)6-12-7-10(13,8-12)4-5-11/h13H,2-4,6-8H2,1H3
InChIKeySRGIRIDTANEXHK-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.75
Rot. Bonds3

About 2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile

2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile (PubChem CID 130693341) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile
PubChem CID130693341
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile
SMILESCC1(CN2CC(O)(CC#N)C2)CC1
InChIInChI=1S/C10H16N2O/c1-9(2-3-9)6-12-7-10(13,8-12)4-5-11/h13H,2-4,6-8H2,1H3
InChIKeySRGIRIDTANEXHK-UHFFFAOYSA-N
XLogP0.75
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile (CID 130693341) is 2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile is CC1(CN2CC(O)(CC#N)C2)CC1.
What is the InChIKey of 2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile?
The InChIKey is SRGIRIDTANEXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(2-3-9)6-12-7-10(13,8-12)4-5-11/h13H,2-4,6-8H2,1H3.
What are the key properties of 2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile?
2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile has a molecular weight of 180.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 130693341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).