6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole

C11H9ClN2O2 — CID 46867787

IUPAC6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole
SMILESC/C(=C\c1c[nH]c2cc(Cl)ccc12)[N+](=O)[O-]
InChIInChI=1S/C11H9ClN2O2/c1-7(14(15)16)4-8-6-13-11-5-9(12)2-3-10(8)11/h2-6,13H,1H3/b7-4+
InChIKeyHLOOOKCNXISWJQ-QPJJXVBHSA-N
MW236.66 g/mol
LogP3.46
Rot. Bonds2

About 6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole

6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole (PubChem CID 46867787) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole
PubChem CID46867787
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole
SMILESC/C(=C\c1c[nH]c2cc(Cl)ccc12)[N+](=O)[O-]
InChIInChI=1S/C11H9ClN2O2/c1-7(14(15)16)4-8-6-13-11-5-9(12)2-3-10(8)11/h2-6,13H,1H3/b7-4+
InChIKeyHLOOOKCNXISWJQ-QPJJXVBHSA-N
XLogP3.46
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene
CID 123795160
6-chloro-1H-indole-3-carbaldehyde
CID 12614669
S-[3-(6-chloro-1H-indol-3-yl)prop-2-enyl] ethanethioate
CID 169458583
3-(6-methyl-1H-indol-3-yl)-2-nitroprop-2-enoic acid
CID 173434285
(E)-1-(6-chloro-1H-indol-3-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 60583182
CID 170645729
CID 170645729
6-chloro-1H-indole-3-carboxamide
CID 130666489
2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 81165656
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
6-chloro-3-(3-methylbut-2-enyl)-1H-indole
CID 11074898
6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137208298
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole?
The IUPAC name of 6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole (CID 46867787) is 6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole?
The canonical SMILES for 6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole is C/C(=C\c1c[nH]c2cc(Cl)ccc12)[N+](=O)[O-].
What is the InChIKey of 6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole?
The InChIKey is HLOOOKCNXISWJQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7(14(15)16)4-8-6-13-11-5-9(12)2-3-10(8)11/h2-6,13H,1H3/b7-4+.
What are the key properties of 6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole?
6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole has a molecular weight of 236.66 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole is sourced from PubChem (CID 46867787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).