N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide

C10H16N2O — CID 6140892

IUPACN-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide
SMILESC/C=C/C=C\NC(=O)N1CCCC1
InChIInChI=1S/C10H16N2O/c1-2-3-4-7-11-10(13)12-8-5-6-9-12/h2-4,7H,5-6,8-9H2,1H3,(H,11,13)/b3-2+,7-4-
InChIKeyKKTZDQVPCVKRKV-SWBALALESA-N
MW180.25 g/mol
LogP1.88
Rot. Bonds2

About N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide

N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide (PubChem CID 6140892) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide
PubChem CID6140892
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide
SMILESC/C=C/C=C\NC(=O)N1CCCC1
InChIInChI=1S/C10H16N2O/c1-2-3-4-7-11-10(13)12-8-5-6-9-12/h2-4,7H,5-6,8-9H2,1H3,(H,11,13)/b3-2+,7-4-
InChIKeyKKTZDQVPCVKRKV-SWBALALESA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

penta-1,3-dienylcarbamic acid
CID 152746421
N-ethenylazepane-1-carboxamide
CID 108909170
N-[(E)-2-cyclopropylprop-1-enyl]pyrrolidine-1-carboxamide
CID 108915443
N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide
CID 108908063
4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide
CID 108909745
N-[(E)-2-(3-methylphenyl)ethenyl]azepane-1-carboxamide
CID 108905455
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
N-(2-oxopropyl)azepane-1-carboxamide
CID 79152815
1-(azonan-1-yl)but-2-en-1-one
CID 174056806
N-[(E)-2-cyclopentylethenyl]-4-methylpiperidine-1-carboxamide
CID 108911659
4-methyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,4-diazepane-1-carboxamide
CID 143501797
N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide
CID 145130222

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide (CID 6140892) is N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide is C/C=C/C=C\NC(=O)N1CCCC1.
What is the InChIKey of N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide?
The InChIKey is KKTZDQVPCVKRKV-SWBALALESA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-4-7-11-10(13)12-8-5-6-9-12/h2-4,7H,5-6,8-9H2,1H3,(H,11,13)/b3-2+,7-4-.
What are the key properties of N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide?
N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 6140892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).