N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide

C12H17NO — CID 143284548

IUPACN-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide
SMILESC=C(C)C(/C=C\C)=C(/C=C\C)NC=O
InChIInChI=1S/C12H17NO/c1-5-7-11(10(3)4)12(8-6-2)13-9-14/h5-9H,3H2,1-2,4H3,(H,13,14)/b7-5-,8-6-,12-11-
InChIKeyQCWCUNOBQJXPKI-QCZCIHHVSA-N
MW191.27 g/mol
LogP2.71
Rot. Bonds5

About N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide

N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide (PubChem CID 143284548) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide.

Molecular Properties

Compound NameN-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide
PubChem CID143284548
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide
SMILESC=C(C)C(/C=C\C)=C(/C=C\C)NC=O
InChIInChI=1S/C12H17NO/c1-5-7-11(10(3)4)12(8-6-2)13-9-14/h5-9H,3H2,1-2,4H3,(H,13,14)/b7-5-,8-6-,12-11-
InChIKeyQCWCUNOBQJXPKI-QCZCIHHVSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide?
The IUPAC name of N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide (CID 143284548) is N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide.
What is the SMILES notation for N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide?
The canonical SMILES for N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide is C=C(C)C(/C=C\C)=C(/C=C\C)NC=O.
What is the InChIKey of N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide?
The InChIKey is QCWCUNOBQJXPKI-QCZCIHHVSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-7-11(10(3)4)12(8-6-2)13-9-14/h5-9H,3H2,1-2,4H3,(H,13,14)/b7-5-,8-6-,12-11-.
What are the key properties of N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide?
N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide has a molecular weight of 191.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z,6Z)-5-prop-1-en-2-ylocta-2,4,6-trien-4-yl]formamide is sourced from PubChem (CID 143284548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).