9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate

C20H20INO2 — CID 123810740

IUPAC9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate
SMILESCC[C@@H](C=CI)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20INO2/c1-2-14(11-12-21)22-20(23)24-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-12,14,19H,2,13H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyHUQRJEWCPYAJSH-AWEZNQCLSA-N
MW433.29 g/mol
LogP5.25
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate

9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate (PubChem CID 123810740) has the molecular formula C20H20INO2 and a molecular weight of 433.29 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate
PubChem CID123810740
Molecular FormulaC20H20INO2
Molecular Weight433.29 g/mol
Exact Mass433.05
IUPAC Name9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate
SMILESCC[C@@H](C=CI)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20INO2/c1-2-14(11-12-21)22-20(23)24-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-12,14,19H,2,13H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyHUQRJEWCPYAJSH-AWEZNQCLSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.29
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 101120722
CID 101120722
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9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
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3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75110601
2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine
CID 91143180
(2S)-5-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid
CID 171702819
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
CID 134850345
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992514
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992511
9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate
CID 89011784
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate (CID 123810740) is 9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate is CC[C@@H](C=CI)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate?
The InChIKey is HUQRJEWCPYAJSH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20INO2/c1-2-14(11-12-21)22-20(23)24-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-12,14,19H,2,13H2,1H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate has a molecular weight of 433.29 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate is sourced from PubChem (CID 123810740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).