N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide

C11H17N3O2 — CID 143043740

IUPACN-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide
SMILESC/C=C\N=C(/C=C\C)CNC(=O)C(=O)NC
InChIInChI=1S/C11H17N3O2/c1-4-6-9(13-7-5-2)8-14-11(16)10(15)12-3/h4-7H,8H2,1-3H3,(H,12,15)(H,14,16)/b6-4-,7-5-,13-9+
InChIKeyDLBUNCBKQZQGIQ-CJMJIQSHSA-N
MW223.28 g/mol
LogP0.40
Rot. Bonds4

About N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide

N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide (PubChem CID 143043740) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide
PubChem CID143043740
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide
SMILESC/C=C\N=C(/C=C\C)CNC(=O)C(=O)NC
InChIInChI=1S/C11H17N3O2/c1-4-6-9(13-7-5-2)8-14-11(16)10(15)12-3/h4-7H,8H2,1-3H3,(H,12,15)(H,14,16)/b6-4-,7-5-,13-9+
InChIKeyDLBUNCBKQZQGIQ-CJMJIQSHSA-N
XLogP0.40
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide
CID 137427222
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430516
2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane
CID 178172502
(2S)-2-[[7-[(2S)-1-oxo-1-(propylamino)propan-2-yl]iminocyclohepta-1,3,5-trien-1-yl]amino]-N-propylpropanamide
CID 101752026
N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430517
(Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide
CID 155714640
2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 178172503

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide?
The IUPAC name of N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide (CID 143043740) is N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide.
What is the SMILES notation for N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide?
The canonical SMILES for N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide is C/C=C\N=C(/C=C\C)CNC(=O)C(=O)NC.
What is the InChIKey of N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide?
The InChIKey is DLBUNCBKQZQGIQ-CJMJIQSHSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-6-9(13-7-5-2)8-14-11(16)10(15)12-3/h4-7H,8H2,1-3H3,(H,12,15)(H,14,16)/b6-4-,7-5-,13-9+.
What are the key properties of N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide?
N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide has a molecular weight of 223.28 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide is sourced from PubChem (CID 143043740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).