1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol

C8H14N2O — CID 168998524

IUPAC1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol
SMILESC/C=C\N=C(/C)N1CC(O)C1
InChIInChI=1S/C8H14N2O/c1-3-4-9-7(2)10-5-8(11)6-10/h3-4,8,11H,5-6H2,1-2H3/b4-3-,9-7+
InChIKeyPCPRZITUHQNGEE-GAWLIRPZSA-N
MW154.21 g/mol
LogP0.61
Rot. Bonds1

About 1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol

1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol (PubChem CID 168998524) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol
PubChem CID168998524
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol
SMILESC/C=C\N=C(/C)N1CC(O)C1
InChIInChI=1S/C8H14N2O/c1-3-4-9-7(2)10-5-8(11)6-10/h3-4,8,11H,5-6H2,1-2H3/b4-3-,9-7+
InChIKeyPCPRZITUHQNGEE-GAWLIRPZSA-N
XLogP0.61
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol?
The IUPAC name of 1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol (CID 168998524) is 1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol.
What is the SMILES notation for 1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol?
The canonical SMILES for 1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol is C/C=C\N=C(/C)N1CC(O)C1.
What is the InChIKey of 1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol?
The InChIKey is PCPRZITUHQNGEE-GAWLIRPZSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-9-7(2)10-5-8(11)6-10/h3-4,8,11H,5-6H2,1-2H3/b4-3-,9-7+.
What are the key properties of 1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol?
1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol has a molecular weight of 154.21 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]azetidin-3-ol is sourced from PubChem (CID 168998524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).