N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide

C17H26N2O — CID 174249781

IUPACN-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide
SMILESC=C(/C=C\C1=C(C)CN(C(C)CCC)C1=C)CNC=O
InChIInChI=1S/C17H26N2O/c1-6-7-15(4)19-11-14(3)17(16(19)5)9-8-13(2)10-18-12-20/h8-9,12,15H,2,5-7,10-11H2,1,3-4H3,(H,18,20)/b9-8-
InChIKeyYQYMAGAYGGOURR-HJWRWDBZSA-N
MW274.41 g/mol
LogP3.18
Rot. Bonds8

About N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide

N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide (PubChem CID 174249781) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide.

Molecular Properties

Compound NameN-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide
PubChem CID174249781
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide
SMILESC=C(/C=C\C1=C(C)CN(C(C)CCC)C1=C)CNC=O
InChIInChI=1S/C17H26N2O/c1-6-7-15(4)19-11-14(3)17(16(19)5)9-8-13(2)10-18-12-20/h8-9,12,15H,2,5-7,10-11H2,1,3-4H3,(H,18,20)/b9-8-
InChIKeyYQYMAGAYGGOURR-HJWRWDBZSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide?
The IUPAC name of N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide (CID 174249781) is N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide.
What is the SMILES notation for N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide?
The canonical SMILES for N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide is C=C(/C=C\C1=C(C)CN(C(C)CCC)C1=C)CNC=O.
What is the InChIKey of N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide?
The InChIKey is YQYMAGAYGGOURR-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H26N2O/c1-6-7-15(4)19-11-14(3)17(16(19)5)9-8-13(2)10-18-12-20/h8-9,12,15H,2,5-7,10-11H2,1,3-4H3,(H,18,20)/b9-8-.
What are the key properties of N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide?
N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide has a molecular weight of 274.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide is sourced from PubChem (CID 174249781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).