(1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine

C13H16N2O — CID 143344905

IUPAC(1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC=C(C)O/N=C/c1ccc2c(c1)CC[C@@H]2N
InChIInChI=1S/C13H16N2O/c1-9(2)16-15-8-10-3-5-12-11(7-10)4-6-13(12)14/h3,5,7-8,13H,1,4,6,14H2,2H3/b15-8+/t13-/m0/s1
InChIKeyJDMMLSXLXLGVQB-LIOBOASVSA-N
MW216.28 g/mol
LogP2.52
Rot. Bonds3

About (1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine

(1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 143344905) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID143344905
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC=C(C)O/N=C/c1ccc2c(c1)CC[C@@H]2N
InChIInChI=1S/C13H16N2O/c1-9(2)16-15-8-10-3-5-12-11(7-10)4-6-13(12)14/h3,5,7-8,13H,1,4,6,14H2,2H3/b15-8+/t13-/m0/s1
InChIKeyJDMMLSXLXLGVQB-LIOBOASVSA-N
XLogP2.52
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine (CID 143344905) is (1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine is C=C(C)O/N=C/c1ccc2c(c1)CC[C@@H]2N.
What is the InChIKey of (1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JDMMLSXLXLGVQB-LIOBOASVSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)16-15-8-10-3-5-12-11(7-10)4-6-13(12)14/h3,5,7-8,13H,1,4,6,14H2,2H3/b15-8+/t13-/m0/s1.
What are the key properties of (1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine?
(1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 143344905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).