(1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine

C8H12N2 — CID 55292248

IUPAC(1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine
SMILESC=CC[C@@H](N)c1ccc[nH]1
InChIInChI=1S/C8H12N2/c1-2-4-7(9)8-5-3-6-10-8/h2-3,5-7,10H,1,4,9H2/t7-/m1/s1
InChIKeyYBJORHCYLXUTSY-SSDOTTSWSA-N
MW136.20 g/mol
LogP1.59
Rot. Bonds3

About (1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine

(1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine (PubChem CID 55292248) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine
PubChem CID55292248
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine
SMILESC=CC[C@@H](N)c1ccc[nH]1
InChIInChI=1S/C8H12N2/c1-2-4-7(9)8-5-3-6-10-8/h2-3,5-7,10H,1,4,9H2/t7-/m1/s1
InChIKeyYBJORHCYLXUTSY-SSDOTTSWSA-N
XLogP1.59
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
methyl 3-amino-3-(1H-pyrrol-2-yl)propanoate
CID 116940134
1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine
CID 130528115
(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride
CID 171201685
(1S)-4,4,4-trifluoro-1-(1H-pyrrol-2-yl)butan-1-amine;hydrochloride
CID 171221235
(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride
CID 171221255
(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride
CID 171221230
3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide
CID 116850307
(1S)-1-(1H-indol-3-yl)but-3-en-1-amine
CID 55270742
5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one
CID 55291962

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine?
The IUPAC name of (1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine (CID 55292248) is (1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine.
What is the SMILES notation for (1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine?
The canonical SMILES for (1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine is C=CC[C@@H](N)c1ccc[nH]1.
What is the InChIKey of (1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine?
The InChIKey is YBJORHCYLXUTSY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-4-7(9)8-5-3-6-10-8/h2-3,5-7,10H,1,4,9H2/t7-/m1/s1.
What are the key properties of (1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine?
(1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine has a molecular weight of 136.20 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine is sourced from PubChem (CID 55292248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).