N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide

C18H28N2O4 — CID 144619712

IUPACN-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide
SMILESC=CCCCOC(C)CC(=O)N1CCCC1C(=O)NC1(C=O)CC1
InChIInChI=1S/C18H28N2O4/c1-3-4-5-11-24-14(2)12-16(22)20-10-6-7-15(20)17(23)19-18(13-21)8-9-18/h3,13-15H,1,4-12H2,2H3,(H,19,23)
InChIKeySSJUDCQCAICDIU-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.59
Rot. Bonds10

About N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide

N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide (PubChem CID 144619712) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide
PubChem CID144619712
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide
SMILESC=CCCCOC(C)CC(=O)N1CCCC1C(=O)NC1(C=O)CC1
InChIInChI=1S/C18H28N2O4/c1-3-4-5-11-24-14(2)12-16(22)20-10-6-7-15(20)17(23)19-18(13-21)8-9-18/h3,13-15H,1,4-12H2,2H3,(H,19,23)
InChIKeySSJUDCQCAICDIU-UHFFFAOYSA-N
XLogP1.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate
CID 123889214
acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane
CID 143443513
(2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene
CID 143671394
prop-2-enyl (2S)-1-hex-5-enoylpyrrolidine-2-carboxylate
CID 90084445
[4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate
CID 137381959
(2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid
CID 58070890
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one
CID 143960585
1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide
CID 79285269
1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119736640
1-O-(2-methylpropyl) 2-O-undec-10-enyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 20837282
ethyl 2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pent-4-enoate
CID 143815717

Frequently Asked Questions

What is the IUPAC name of N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide (CID 144619712) is N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide is C=CCCCOC(C)CC(=O)N1CCCC1C(=O)NC1(C=O)CC1.
What is the InChIKey of N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide?
The InChIKey is SSJUDCQCAICDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-3-4-5-11-24-14(2)12-16(22)20-10-6-7-15(20)17(23)19-18(13-21)8-9-18/h3,13-15H,1,4-12H2,2H3,(H,19,23).
What are the key properties of N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide?
N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 144619712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).