N-[(1E)-penta-1,4-dienyl]formamide

C6H9NO — CID 143527082

IUPACN-[(1E)-penta-1,4-dienyl]formamide
SMILESC=CC/C=C/NC=O
InChIInChI=1S/C6H9NO/c1-2-3-4-5-7-6-8/h2,4-6H,1,3H2,(H,7,8)/b5-4+
InChIKeyRVZXMBWYBZEKFJ-SNAWJCMRSA-N
MW111.14 g/mol
LogP0.82
Rot. Bonds4

About N-[(1E)-penta-1,4-dienyl]formamide

N-[(1E)-penta-1,4-dienyl]formamide (PubChem CID 143527082) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-[(1E)-penta-1,4-dienyl]formamide.

Molecular Properties

Compound NameN-[(1E)-penta-1,4-dienyl]formamide
PubChem CID143527082
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-[(1E)-penta-1,4-dienyl]formamide
SMILESC=CC/C=C/NC=O
InChIInChI=1S/C6H9NO/c1-2-3-4-5-7-6-8/h2,4-6H,1,3H2,(H,7,8)/b5-4+
InChIKeyRVZXMBWYBZEKFJ-SNAWJCMRSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.82
H-Bond Donors ≤ 51
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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Related Compounds

N-penta-1,4-dienylformamide
CID 174468643
N-[(1E)-buta-1,3-dienyl]formamide
CID 19067293
(Z)-4-formamidobut-3-enoic acid
CID 15944664
(4Z)-octa-1,4,7-trien-3-one
CID 134866608
N-[(1E)-penta-1,4-dienyl]aniline
CID 142183076
N-ethenylformamide;polane
CID 173327800
but-3-enal;cobalt
CID 87178238
N-prop-2-enylpenta-2,4-dien-1-amine
CID 54219064
1-penta-1,4-dienylsulfonylpenta-1,4-diene
CID 173151693
ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene)
CID 142275746
hexa-1,4-diene
CID 163631115
(1E)-1-fluoropenta-1,4-diene
CID 87196328

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-penta-1,4-dienyl]formamide?
The IUPAC name of N-[(1E)-penta-1,4-dienyl]formamide (CID 143527082) is N-[(1E)-penta-1,4-dienyl]formamide.
What is the SMILES notation for N-[(1E)-penta-1,4-dienyl]formamide?
The canonical SMILES for N-[(1E)-penta-1,4-dienyl]formamide is C=CC/C=C/NC=O.
What is the InChIKey of N-[(1E)-penta-1,4-dienyl]formamide?
The InChIKey is RVZXMBWYBZEKFJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-3-4-5-7-6-8/h2,4-6H,1,3H2,(H,7,8)/b5-4+.
What are the key properties of N-[(1E)-penta-1,4-dienyl]formamide?
N-[(1E)-penta-1,4-dienyl]formamide has a molecular weight of 111.14 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-penta-1,4-dienyl]formamide is sourced from PubChem (CID 143527082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).