(2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol

C18H24N2O — CID 7338461

IUPAC(2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol
SMILESC=CCN(Cc1cccn1Cc1ccccc1)C[C@@H](C)O
InChIInChI=1S/C18H24N2O/c1-3-11-19(13-16(2)21)15-18-10-7-12-20(18)14-17-8-5-4-6-9-17/h3-10,12,16,21H,1,11,13-15H2,2H3/t16-/m1/s1
InChIKeyVJKMVHWENVKYGP-MRXNPFEDSA-N
MW284.40 g/mol
LogP2.91
Rot. Bonds8

About (2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol

(2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol (PubChem CID 7338461) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol
PubChem CID7338461
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol
SMILESC=CCN(Cc1cccn1Cc1ccccc1)C[C@@H](C)O
InChIInChI=1S/C18H24N2O/c1-3-11-19(13-16(2)21)15-18-10-7-12-20(18)14-17-8-5-4-6-9-17/h3-10,12,16,21H,1,11,13-15H2,2H3/t16-/m1/s1
InChIKeyVJKMVHWENVKYGP-MRXNPFEDSA-N
XLogP2.91
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]-3-prop-2-ynoxypropan-2-ol
CID 42794671
1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol
CID 42794741
1-[benzyl-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl]amino]hex-5-en-2-ol
CID 42794802
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol
CID 7431496
1-[(1-benzylpyrrol-2-yl)methyl-(3-methylbutyl)amino]butan-2-ol
CID 42794643
1-[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
CID 42794651
(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 7337516
1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-3-methoxypropan-2-ol
CID 42794797
(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]hex-5-en-2-ol
CID 7296045
1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane
CID 18424249
N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine
CID 42795108
(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 7231467

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol (CID 7338461) is (2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol is C=CCN(Cc1cccn1Cc1ccccc1)C[C@@H](C)O.
What is the InChIKey of (2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol?
The InChIKey is VJKMVHWENVKYGP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-11-19(13-16(2)21)15-18-10-7-12-20(18)14-17-8-5-4-6-9-17/h3-10,12,16,21H,1,11,13-15H2,2H3/t16-/m1/s1.
What are the key properties of (2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol?
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol is sourced from PubChem (CID 7338461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).