5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane

C14H24N2 — CID 142256596

IUPAC5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane
SMILESC=C/C=C\c1[nH]c(N)cc1C=C.CC.CC
InChIInChI=1S/C10H12N2.2C2H6/c1-3-5-6-9-8(4-2)7-10(11)12-9;2*1-2/h3-7,12H,1-2,11H2;2*1-2H3/b6-5-;;
InChIKeyDSKOHBCOOZGOKG-XNOMRPDFSA-N
MW220.36 g/mol
LogP4.49
Rot. Bonds3

About 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane

5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane (PubChem CID 142256596) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane
PubChem CID142256596
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane
SMILESC=C/C=C\c1[nH]c(N)cc1C=C.CC.CC
InChIInChI=1S/C10H12N2.2C2H6/c1-3-5-6-9-8(4-2)7-10(11)12-9;2*1-2/h3-7,12H,1-2,11H2;2*1-2H3/b6-5-;;
InChIKeyDSKOHBCOOZGOKG-XNOMRPDFSA-N
XLogP4.49
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane with MolForge

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

Launch Full Analysis

Related Compounds

5-ethenyl-6-[(1Z,3E)-penta-1,3-dienyl]-1H-pyridin-2-one
CID 134474939
ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine
CID 144683553
4-[(1Z)-buta-1,3-dienyl]-5-methylthiophen-2-amine
CID 138552173
2-[(1Z)-buta-1,3-dienyl]-3-methyl-1H-pyrrole
CID 89218252
3,4-bis(ethenyl)aniline;ethane
CID 142131680
2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole
CID 166734172
1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane
CID 153344480
6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane
CID 176696462
4-[(1Z)-buta-1,3-dienyl]-2,3-bis(ethenyl)-5-methyl-1H-indole
CID 145345751
2-[(1E)-buta-1,3-dienyl]aniline
CID 12715427
ethane;3-ethenyl-1H-pyrrol-2-amine
CID 178089046
3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole
CID 130271448

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane (CID 142256596) is 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane is C=C/C=C\c1[nH]c(N)cc1C=C.CC.CC.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane?
The InChIKey is DSKOHBCOOZGOKG-XNOMRPDFSA-N. The full InChI is InChI=1S/C10H12N2.2C2H6/c1-3-5-6-9-8(4-2)7-10(11)12-9;2*1-2/h3-7,12H,1-2,11H2;2*1-2H3/b6-5-;;.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane?
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane has a molecular weight of 220.36 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1H-pyrrol-2-amine;ethane is sourced from PubChem (CID 142256596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).