(E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine

C11H17NO — CID 118711638

IUPAC(E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine
SMILESC=C(C)[C@@H]1CC=C(/C=N/OC)CC1
InChIInChI=1S/C11H17NO/c1-9(2)11-6-4-10(5-7-11)8-12-13-3/h4,8,11H,1,5-7H2,2-3H3/b12-8+/t11-/m1/s1
InChIKeyIDDMKZRMJBEAHF-OYGDSYQHSA-N
MW179.26 g/mol
LogP2.92
Rot. Bonds3

About (E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine

(E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine (PubChem CID 118711638) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine
PubChem CID118711638
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine
SMILESC=C(C)[C@@H]1CC=C(/C=N/OC)CC1
InChIInChI=1S/C11H17NO/c1-9(2)11-6-4-10(5-7-11)8-12-13-3/h4,8,11H,1,5-7H2,2-3H3/b12-8+/t11-/m1/s1
InChIKeyIDDMKZRMJBEAHF-OYGDSYQHSA-N
XLogP2.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine?
The IUPAC name of (E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine (CID 118711638) is (E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine.
What is the SMILES notation for (E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine?
The canonical SMILES for (E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine is C=C(C)[C@@H]1CC=C(/C=N/OC)CC1.
What is the InChIKey of (E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine?
The InChIKey is IDDMKZRMJBEAHF-OYGDSYQHSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2)11-6-4-10(5-7-11)8-12-13-3/h4,8,11H,1,5-7H2,2-3H3/b12-8+/t11-/m1/s1.
What are the key properties of (E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine?
(E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine has a molecular weight of 179.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine is sourced from PubChem (CID 118711638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).