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

C12H16N2O — CID 130444108

IUPACN-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide
SMILESC=C/C=c1/[nH]cc(CCNC=O)/c1=C/C
InChIInChI=1S/C12H16N2O/c1-3-5-12-11(4-2)10(8-14-12)6-7-13-9-15/h3-5,8-9,14H,1,6-7H2,2H3,(H,13,15)/b11-4-,12-5+
InChIKeyRIYRIPWXISKLHY-NKXDNZRASA-N
MW204.27 g/mol
LogP0.07
Rot. Bonds5

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

N-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide (PubChem CID 130444108) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide
PubChem CID130444108
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide
SMILESC=C/C=c1/[nH]cc(CCNC=O)/c1=C/C
InChIInChI=1S/C12H16N2O/c1-3-5-12-11(4-2)10(8-14-12)6-7-13-9-15/h3-5,8-9,14H,1,6-7H2,2H3,(H,13,15)/b11-4-,12-5+
InChIKeyRIYRIPWXISKLHY-NKXDNZRASA-N
XLogP0.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.07
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'}

Analyze N-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide?
The IUPAC name of N-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide (CID 130444108) is N-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide?
The canonical SMILES for N-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide is C=C/C=c1/[nH]cc(CCNC=O)/c1=C/C.
What is the InChIKey of N-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide?
The InChIKey is RIYRIPWXISKLHY-NKXDNZRASA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-5-12-11(4-2)10(8-14-12)6-7-13-9-15/h3-5,8-9,14H,1,6-7H2,2H3,(H,13,15)/b11-4-,12-5+.
What are the key properties of N-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide?
N-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide has a molecular weight of 204.27 g/mol, XLogP of 0.07, 5 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-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide is sourced from PubChem (CID 130444108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).