9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate

C24H27NO3 — CID 18610696

IUPAC9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate
SMILESC=CCCC(O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO3/c1-2-3-14-23(26)22-13-8-15-25(22)24(27)28-16-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h2,4-7,9-12,21-23,26H,1,3,8,13-16H2/t22-,23?/m0/s1
InChIKeyMXSWJWYMVHGNKO-NQCNTLBGSA-N
MW377.48 g/mol
LogP4.73
Rot. Bonds6

About 9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate (PubChem CID 18610696) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate
PubChem CID18610696
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate
SMILESC=CCCC(O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO3/c1-2-3-14-23(26)22-13-8-15-25(22)24(27)28-16-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h2,4-7,9-12,21-23,26H,1,3,8,13-16H2/t22-,23?/m0/s1
InChIKeyMXSWJWYMVHGNKO-NQCNTLBGSA-N
XLogP4.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.73
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

benzyl (2R)-2-[(1R)-1-hydroxypent-4-enyl]pyrrolidine-1-carboxylate
CID 54578974
3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 71028235
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate
CID 69050064
benzyl 2-(1,3-dihydroxypropyl)pyrrolidine-1-carboxylate
CID 68745520
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid
CID 178201093
benzyl 2-(1-hydroxybutyl)pyrrolidine-1-carboxylate
CID 56976616
9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate
CID 166036291
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate (CID 18610696) is 9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate is C=CCCC(O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate?
The InChIKey is MXSWJWYMVHGNKO-NQCNTLBGSA-N. The full InChI is InChI=1S/C24H27NO3/c1-2-3-14-23(26)22-13-8-15-25(22)24(27)28-16-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h2,4-7,9-12,21-23,26H,1,3,8,13-16H2/t22-,23?/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate has a molecular weight of 377.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 18610696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).