3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole

C18H16N2O3 — CID 11324286

IUPAC3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole
SMILESC/C(=C/c1c[nH]c2c(OCc3ccccc3)cccc12)[N+](=O)[O-]
InChIInChI=1S/C18H16N2O3/c1-13(20(21)22)10-15-11-19-18-16(15)8-5-9-17(18)23-12-14-6-3-2-4-7-14/h2-11,19H,12H2,1H3/b13-10-
InChIKeyLJNQTTSQYYUUJN-RAXLEYEMSA-N
MW308.34 g/mol
LogP4.38
Rot. Bonds5

About 3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole

3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole (PubChem CID 11324286) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole
PubChem CID11324286
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole
SMILESC/C(=C/c1c[nH]c2c(OCc3ccccc3)cccc12)[N+](=O)[O-]
InChIInChI=1S/C18H16N2O3/c1-13(20(21)22)10-15-11-19-18-16(15)8-5-9-17(18)23-12-14-6-3-2-4-7-14/h2-11,19H,12H2,1H3/b13-10-
InChIKeyLJNQTTSQYYUUJN-RAXLEYEMSA-N
XLogP4.38
TPSA68.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-methyl-1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene
CID 134610819
3-(2-nitropropyl)-7-phenylmethoxy-1H-indole
CID 11461053
(E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
CID 170876586
1-methoxy-5-methyl-2-[(E)-2-nitroprop-1-enyl]-4-phenylmethoxybenzene
CID 124644927
1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene
CID 24721025
N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
CID 563604
(3R)-3-(7-phenylmethoxy-1H-indol-3-yl)-3-prop-2-enyl-2H-isoindol-1-one
CID 53472915
4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one
CID 91376144
2-(phenylmethoxycarbonylamino)-3-(7-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 22309430
(2R)-2-(phenylmethoxycarbonylamino)-3-(7-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 94021274
1-methyl-2-nitro-3-phenylmethoxybenzene
CID 3344187
1-iodo-2-nitro-3-phenylmethoxybenzene
CID 134860579

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole?
The IUPAC name of 3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole (CID 11324286) is 3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole.
What is the SMILES notation for 3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole?
The canonical SMILES for 3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole is C/C(=C/c1c[nH]c2c(OCc3ccccc3)cccc12)[N+](=O)[O-].
What is the InChIKey of 3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole?
The InChIKey is LJNQTTSQYYUUJN-RAXLEYEMSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-13(20(21)22)10-15-11-19-18-16(15)8-5-9-17(18)23-12-14-6-3-2-4-7-14/h2-11,19H,12H2,1H3/b13-10-.
What are the key properties of 3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole?
3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole has a molecular weight of 308.34 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole is sourced from PubChem (CID 11324286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).