(3R,4E)-4-(aminomethylidene)hex-5-en-3-ol

C7H13NO — CID 135190133

IUPAC(3R,4E)-4-(aminomethylidene)hex-5-en-3-ol
SMILESC=C/C(=C\N)[C@H](O)CC
InChIInChI=1S/C7H13NO/c1-3-6(5-8)7(9)4-2/h3,5,7,9H,1,4,8H2,2H3/b6-5+/t7-/m1/s1
InChIKeyOZTHDFQVRTUHMD-WEWAHIQMSA-N
MW127.19 g/mol
LogP0.79
Rot. Bonds3

About (3R,4E)-4-(aminomethylidene)hex-5-en-3-ol

(3R,4E)-4-(aminomethylidene)hex-5-en-3-ol (PubChem CID 135190133) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3R,4E)-4-(aminomethylidene)hex-5-en-3-ol.

Molecular Properties

Compound Name(3R,4E)-4-(aminomethylidene)hex-5-en-3-ol
PubChem CID135190133
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3R,4E)-4-(aminomethylidene)hex-5-en-3-ol
SMILESC=C/C(=C\N)[C@H](O)CC
InChIInChI=1S/C7H13NO/c1-3-6(5-8)7(9)4-2/h3,5,7,9H,1,4,8H2,2H3/b6-5+/t7-/m1/s1
InChIKeyOZTHDFQVRTUHMD-WEWAHIQMSA-N
XLogP0.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4E)-4-(aminomethylidene)hex-5-en-3-ol?
The IUPAC name of (3R,4E)-4-(aminomethylidene)hex-5-en-3-ol (CID 135190133) is (3R,4E)-4-(aminomethylidene)hex-5-en-3-ol.
What is the SMILES notation for (3R,4E)-4-(aminomethylidene)hex-5-en-3-ol?
The canonical SMILES for (3R,4E)-4-(aminomethylidene)hex-5-en-3-ol is C=C/C(=C\N)[C@H](O)CC.
What is the InChIKey of (3R,4E)-4-(aminomethylidene)hex-5-en-3-ol?
The InChIKey is OZTHDFQVRTUHMD-WEWAHIQMSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-6(5-8)7(9)4-2/h3,5,7,9H,1,4,8H2,2H3/b6-5+/t7-/m1/s1.
What are the key properties of (3R,4E)-4-(aminomethylidene)hex-5-en-3-ol?
(3R,4E)-4-(aminomethylidene)hex-5-en-3-ol has a molecular weight of 127.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E)-4-(aminomethylidene)hex-5-en-3-ol is sourced from PubChem (CID 135190133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).