N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide

C11H18N4O2 — CID 155020937

IUPACN-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide
SMILESC/C=C\C(=N/N(C)C=O)NC(=O)N1CCCC1
InChIInChI=1S/C11H18N4O2/c1-3-6-10(13-14(2)9-16)12-11(17)15-7-4-5-8-15/h3,6,9H,4-5,7-8H2,1-2H3,(H,12,13,17)/b6-3-
InChIKeyUCKWSCJRBWITHE-UTCJRWHESA-N
MW238.29 g/mol
LogP0.77
Rot. Bonds3

About N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide

N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide (PubChem CID 155020937) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide
PubChem CID155020937
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide
SMILESC/C=C\C(=N/N(C)C=O)NC(=O)N1CCCC1
InChIInChI=1S/C11H18N4O2/c1-3-6-10(13-14(2)9-16)12-11(17)15-7-4-5-8-15/h3,6,9H,4-5,7-8H2,1-2H3,(H,12,13,17)/b6-3-
InChIKeyUCKWSCJRBWITHE-UTCJRWHESA-N
XLogP0.77
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3-fluorophenyl)methyl]-N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide
CID 155021016
N-but-2-enoylaziridine-1-carboxamide
CID 175035959
1-(azonan-1-yl)but-2-en-1-one
CID 174056806
4-methyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,4-diazepane-1-carboxamide
CID 143501797
N-methoxyazocane-1-carboxamide
CID 130891205
butane;(E)-1-piperidin-1-ylbut-2-en-1-one
CID 142213243
N-(2-methylpropanoyl)pyrrolidine-1-carboxamide
CID 91389730
N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide
CID 6140892
N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 142215501
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
N-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxamide
CID 21080226
(E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide
CID 115596720

Frequently Asked Questions

What is the IUPAC name of N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide (CID 155020937) is N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide is C/C=C\C(=N/N(C)C=O)NC(=O)N1CCCC1.
What is the InChIKey of N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide?
The InChIKey is UCKWSCJRBWITHE-UTCJRWHESA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-6-10(13-14(2)9-16)12-11(17)15-7-4-5-8-15/h3,6,9H,4-5,7-8H2,1-2H3,(H,12,13,17)/b6-3-.
What are the key properties of N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide?
N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N-[formyl(methyl)amino]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155020937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).