(2E,6Z)-N-cyclopropylnona-2,6-dienamide

C12H19NO — CID 11469606

IUPAC(2E,6Z)-N-cyclopropylnona-2,6-dienamide
SMILESCC/C=C\CC/C=C/C(=O)NC1CC1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-7-8-12(14)13-11-9-10-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,13,14)/b4-3-,8-7+
InChIKeyBTSTZWOTLKSKHV-ODYTWBPASA-N
MW193.29 g/mol
LogP2.57
Rot. Bonds6

About (2E,6Z)-N-cyclopropylnona-2,6-dienamide

(2E,6Z)-N-cyclopropylnona-2,6-dienamide (PubChem CID 11469606) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E,6Z)-N-cyclopropylnona-2,6-dienamide.

Molecular Properties

Compound Name(2E,6Z)-N-cyclopropylnona-2,6-dienamide
PubChem CID11469606
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2E,6Z)-N-cyclopropylnona-2,6-dienamide
SMILESCC/C=C\CC/C=C/C(=O)NC1CC1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-7-8-12(14)13-11-9-10-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,13,14)/b4-3-,8-7+
InChIKeyBTSTZWOTLKSKHV-ODYTWBPASA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-N-cyclopropylnona-2,6-dienamide?
The IUPAC name of (2E,6Z)-N-cyclopropylnona-2,6-dienamide (CID 11469606) is (2E,6Z)-N-cyclopropylnona-2,6-dienamide.
What is the SMILES notation for (2E,6Z)-N-cyclopropylnona-2,6-dienamide?
The canonical SMILES for (2E,6Z)-N-cyclopropylnona-2,6-dienamide is CC/C=C\CC/C=C/C(=O)NC1CC1.
What is the InChIKey of (2E,6Z)-N-cyclopropylnona-2,6-dienamide?
The InChIKey is BTSTZWOTLKSKHV-ODYTWBPASA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-5-6-7-8-12(14)13-11-9-10-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,13,14)/b4-3-,8-7+.
What are the key properties of (2E,6Z)-N-cyclopropylnona-2,6-dienamide?
(2E,6Z)-N-cyclopropylnona-2,6-dienamide has a molecular weight of 193.29 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-N-cyclopropylnona-2,6-dienamide is sourced from PubChem (CID 11469606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).