[(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate

C14H14N2O3 — CID 144940827

IUPAC[(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate
SMILESC=C/C=C(\C=C)COC(=O)Nc1ccc(C=O)nc1
InChIInChI=1S/C14H14N2O3/c1-3-5-11(4-2)10-19-14(18)16-12-6-7-13(9-17)15-8-12/h3-9H,1-2,10H2,(H,16,18)/b11-5+
InChIKeyCOIDOBDZVKFSFC-VZUCSPMQSA-N
MW258.28 g/mol
LogP2.74
Rot. Bonds6

About [(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate

[(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate (PubChem CID 144940827) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is [(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Name[(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate
PubChem CID144940827
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name[(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate
SMILESC=C/C=C(\C=C)COC(=O)Nc1ccc(C=O)nc1
InChIInChI=1S/C14H14N2O3/c1-3-5-11(4-2)10-19-14(18)16-12-6-7-13(9-17)15-8-12/h3-9H,1-2,10H2,(H,16,18)/b11-5+
InChIKeyCOIDOBDZVKFSFC-VZUCSPMQSA-N
XLogP2.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate
CID 144940825
[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520
5-(2-hydroxyethylamino)pyridine-2-carbaldehyde
CID 167016438
4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde
CID 142940624
(3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide
CID 143113299
1-O-benzyl 3-O-[(2E)-2-ethenylpenta-2,4-dienyl] propanedioate
CID 143213528
2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine
CID 144739359
N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide
CID 86098575
5-(propan-2-ylamino)pyridine-2-carbaldehyde
CID 84651898
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
[(2E)-2-ethenylpenta-2,4-dienyl] 2-(4-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 142863982
[(2E)-2-ethenylpenta-2,4-dienyl] N-[3-[(Z)-1-(dimethylamino)-2-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-(3-methylthiophen-2-yl)ethenyl]phenyl]carbamate
CID 169135303

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate?
The IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate (CID 144940827) is [(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate.
What is the SMILES notation for [(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate?
The canonical SMILES for [(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate is C=C/C=C(\C=C)COC(=O)Nc1ccc(C=O)nc1.
What is the InChIKey of [(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate?
The InChIKey is COIDOBDZVKFSFC-VZUCSPMQSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-5-11(4-2)10-19-14(18)16-12-6-7-13(9-17)15-8-12/h3-9H,1-2,10H2,(H,16,18)/b11-5+.
What are the key properties of [(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate?
[(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate has a molecular weight of 258.28 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate is sourced from PubChem (CID 144940827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).