N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide

C11H16N2O — CID 130444106

IUPACN-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide
SMILESC/C=c1/c(CCNC=O)c[nH]/c1=C/C
InChIInChI=1S/C11H16N2O/c1-3-10-9(5-6-12-8-14)7-13-11(10)4-2/h3-4,7-8,13H,5-6H2,1-2H3,(H,12,14)/b10-3-,11-4+
InChIKeyZTCBCNCYWGRAJM-ABRIWZISSA-N
MW192.26 g/mol
LogP-0.10
Rot. Bonds4

About N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide

N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide (PubChem CID 130444106) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide
PubChem CID130444106
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide
SMILESC/C=c1/c(CCNC=O)c[nH]/c1=C/C
InChIInChI=1S/C11H16N2O/c1-3-10-9(5-6-12-8-14)7-13-11(10)4-2/h3-4,7-8,13H,5-6H2,1-2H3,(H,12,14)/b10-3-,11-4+
InChIKeyZTCBCNCYWGRAJM-ABRIWZISSA-N
XLogP-0.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide?
The IUPAC name of N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide (CID 130444106) is N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide?
The canonical SMILES for N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide is C/C=c1/c(CCNC=O)c[nH]/c1=C/C.
What is the InChIKey of N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide?
The InChIKey is ZTCBCNCYWGRAJM-ABRIWZISSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-10-9(5-6-12-8-14)7-13-11(10)4-2/h3-4,7-8,13H,5-6H2,1-2H3,(H,12,14)/b10-3-,11-4+.
What are the key properties of N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide?
N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide has a molecular weight of 192.26 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide is sourced from PubChem (CID 130444106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).