(2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol

C12H21NO — CID 163537540

IUPAC(2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol
SMILESC=CNC[C@@H](O)C/C=C\C/C=C\CC
InChIInChI=1S/C12H21NO/c1-3-5-6-7-8-9-10-12(14)11-13-4-2/h4-6,8-9,12-14H,2-3,7,10-11H2,1H3/b6-5-,9-8-/t12-/m0/s1
InChIKeyDYGZHSNRXGGBNC-XRNXTMSQSA-N
MW195.31 g/mol
LogP2.38
Rot. Bonds8

About (2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol

(2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol (PubChem CID 163537540) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol.

Molecular Properties

Compound Name(2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol
PubChem CID163537540
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol
SMILESC=CNC[C@@H](O)C/C=C\C/C=C\CC
InChIInChI=1S/C12H21NO/c1-3-5-6-7-8-9-10-12(14)11-13-4-2/h4-6,8-9,12-14H,2-3,7,10-11H2,1H3/b6-5-,9-8-/t12-/m0/s1
InChIKeyDYGZHSNRXGGBNC-XRNXTMSQSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol?
The IUPAC name of (2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol (CID 163537540) is (2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol.
What is the SMILES notation for (2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol?
The canonical SMILES for (2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol is C=CNC[C@@H](O)C/C=C\C/C=C\CC.
What is the InChIKey of (2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol?
The InChIKey is DYGZHSNRXGGBNC-XRNXTMSQSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-6-7-8-9-10-12(14)11-13-4-2/h4-6,8-9,12-14H,2-3,7,10-11H2,1H3/b6-5-,9-8-/t12-/m0/s1.
What are the key properties of (2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol?
(2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol has a molecular weight of 195.31 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4Z,7Z)-1-(ethenylamino)deca-4,7-dien-2-ol is sourced from PubChem (CID 163537540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).