N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide

C13H15N3O3 — CID 116621018

IUPACN,N-dimethyl-3-(6-nitroindol-1-yl)propanamide
SMILESCN(C)C(=O)CCn1ccc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C13H15N3O3/c1-14(2)13(17)6-8-15-7-5-10-3-4-11(16(18)19)9-12(10)15/h3-5,7,9H,6,8H2,1-2H3
InChIKeyYOSNDTMJIOUJGV-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.03
Rot. Bonds4

About N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide

N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide (PubChem CID 116621018) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(6-nitroindol-1-yl)propanamide
PubChem CID116621018
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN,N-dimethyl-3-(6-nitroindol-1-yl)propanamide
SMILESCN(C)C(=O)CCn1ccc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C13H15N3O3/c1-14(2)13(17)6-8-15-7-5-10-3-4-11(16(18)19)9-12(10)15/h3-5,7,9H,6,8H2,1-2H3
InChIKeyYOSNDTMJIOUJGV-UHFFFAOYSA-N
XLogP2.03
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(E)-but-2-enedioic acid;N,N-dimethyl-2-(6-nitroindol-1-yl)ethanamine
CID 166791736
1-(3-methylbutyl)-6-nitroindole
CID 116621059
1-(6-nitroindol-1-yl)butan-2-one
CID 62039751
methyl 5-(6-nitroindol-1-yl)-4-oxopentanoate
CID 157484608
2,2-dimethyl-6-(6-nitroindol-1-yl)hexanenitrile
CID 106714558
1-(2-butoxyethyl)-6-nitroindole
CID 116621040
1-but-2-ynyl-6-nitroindole
CID 116620986
4-(6-nitroindol-1-yl)but-2-enoic acid
CID 76940715
6-(5-nitroindol-1-yl)hexan-2-one
CID 62023942
2,2-dimethyl-5-(6-nitroindol-1-yl)pentanenitrile
CID 116621000
1-ethylindol-6-amine;1-ethyl-6-nitroindole
CID 159386864
[4-[(6-nitroindol-1-yl)methyl]phenyl]methanol
CID 116621083

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide?
The IUPAC name of N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide (CID 116621018) is N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide?
The canonical SMILES for N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide is CN(C)C(=O)CCn1ccc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide?
The InChIKey is YOSNDTMJIOUJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-14(2)13(17)6-8-15-7-5-10-3-4-11(16(18)19)9-12(10)15/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide?
N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide has a molecular weight of 261.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide is sourced from PubChem (CID 116621018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).