(2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde

C24H37NO2 — CID 15712746

IUPAC(2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde
SMILESCC(C)C(CCCCCCCCc1ccccc1)C(=O)N1CCC[C@H]1C=O
InChIInChI=1S/C24H37NO2/c1-20(2)23(24(27)25-18-12-16-22(25)19-26)17-11-6-4-3-5-8-13-21-14-9-7-10-15-21/h7,9-10,14-15,19-20,22-23H,3-6,8,11-13,16-18H2,1-2H3/t22-,23?/m0/s1
InChIKeyYOAALENNMBRMRO-NQCNTLBGSA-N
MW371.57 g/mol
LogP5.42
Rot. Bonds12

About (2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde

(2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde (PubChem CID 15712746) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde
PubChem CID15712746
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name(2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde
SMILESCC(C)C(CCCCCCCCc1ccccc1)C(=O)N1CCC[C@H]1C=O
InChIInChI=1S/C24H37NO2/c1-20(2)23(24(27)25-18-12-16-22(25)19-26)17-11-6-4-3-5-8-13-21-14-9-7-10-15-21/h7,9-10,14-15,19-20,22-23H,3-6,8,11-13,16-18H2,1-2H3/t22-,23?/m0/s1
InChIKeyYOAALENNMBRMRO-NQCNTLBGSA-N
XLogP5.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(9-phenyl-2-propan-2-ylnonanoyl)pyrrolidine-2-carbaldehyde
CID 15712745
(2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde
CID 15712748
2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid
CID 70045519
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
ethyl 2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 173256308
(2R)-2-methyl-1-(7-phenyl-2-propan-2-ylheptanoyl)pyrrolidin-1-ium-1-carbaldehyde
CID 57189038
benzyl N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 131632935
ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate
CID 57032935
benzyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88871264
(4S)-5-[(2S)-2-formylpyrrolidin-1-yl]-4-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-5-oxopentanoic acid
CID 173357645
(2S)-2-amino-N-[(2S)-5-amino-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]-3-phenylpropanamide
CID 90705274
benzyl N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 173249573

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde (CID 15712746) is (2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde is CC(C)C(CCCCCCCCc1ccccc1)C(=O)N1CCC[C@H]1C=O.
What is the InChIKey of (2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde?
The InChIKey is YOAALENNMBRMRO-NQCNTLBGSA-N. The full InChI is InChI=1S/C24H37NO2/c1-20(2)23(24(27)25-18-12-16-22(25)19-26)17-11-6-4-3-5-8-13-21-14-9-7-10-15-21/h7,9-10,14-15,19-20,22-23H,3-6,8,11-13,16-18H2,1-2H3/t22-,23?/m0/s1.
What are the key properties of (2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde?
(2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde has a molecular weight of 371.57 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 15712746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).