N-[(E)-hex-2-enyl]-N-prop-2-enylformamide

C10H17NO — CID 87925222

IUPACN-[(E)-hex-2-enyl]-N-prop-2-enylformamide
SMILESC=CCN(C=O)C/C=C/CCC
InChIInChI=1S/C10H17NO/c1-3-5-6-7-9-11(10-12)8-4-2/h4,6-7,10H,2-3,5,8-9H2,1H3/b7-6+
InChIKeyCSKWXPQDGONHQG-VOTSOKGWSA-N
MW167.25 g/mol
LogP1.99
Rot. Bonds7

About N-[(E)-hex-2-enyl]-N-prop-2-enylformamide

N-[(E)-hex-2-enyl]-N-prop-2-enylformamide (PubChem CID 87925222) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(E)-hex-2-enyl]-N-prop-2-enylformamide.

Molecular Properties

Compound NameN-[(E)-hex-2-enyl]-N-prop-2-enylformamide
PubChem CID87925222
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(E)-hex-2-enyl]-N-prop-2-enylformamide
SMILESC=CCN(C=O)C/C=C/CCC
InChIInChI=1S/C10H17NO/c1-3-5-6-7-9-11(10-12)8-4-2/h4,6-7,10H,2-3,5,8-9H2,1H3/b7-6+
InChIKeyCSKWXPQDGONHQG-VOTSOKGWSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-hex-2-enyl]-N-prop-2-enylformamide?
The IUPAC name of N-[(E)-hex-2-enyl]-N-prop-2-enylformamide (CID 87925222) is N-[(E)-hex-2-enyl]-N-prop-2-enylformamide.
What is the SMILES notation for N-[(E)-hex-2-enyl]-N-prop-2-enylformamide?
The canonical SMILES for N-[(E)-hex-2-enyl]-N-prop-2-enylformamide is C=CCN(C=O)C/C=C/CCC.
What is the InChIKey of N-[(E)-hex-2-enyl]-N-prop-2-enylformamide?
The InChIKey is CSKWXPQDGONHQG-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-6-7-9-11(10-12)8-4-2/h4,6-7,10H,2-3,5,8-9H2,1H3/b7-6+.
What are the key properties of N-[(E)-hex-2-enyl]-N-prop-2-enylformamide?
N-[(E)-hex-2-enyl]-N-prop-2-enylformamide has a molecular weight of 167.25 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hex-2-enyl]-N-prop-2-enylformamide is sourced from PubChem (CID 87925222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).