4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene

C11H13N3 — CID 150434648

IUPAC4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
SMILESCc1ccc(C=CCN=[N+]=[N-])cc1C
InChIInChI=1S/C11H13N3/c1-9-5-6-11(8-10(9)2)4-3-7-13-14-12/h3-6,8H,7H2,1-2H3
InChIKeyHKMSMSVHTLHELP-UHFFFAOYSA-N
MW187.25 g/mol
LogP3.63
Rot. Bonds3

About 4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene

4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene (PubChem CID 150434648) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
PubChem CID150434648
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
SMILESCc1ccc(C=CCN=[N+]=[N-])cc1C
InChIInChI=1S/C11H13N3/c1-9-5-6-11(8-10(9)2)4-3-7-13-14-12/h3-6,8H,7H2,1-2H3
InChIKeyHKMSMSVHTLHELP-UHFFFAOYSA-N
XLogP3.63
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
4-(3-azidoprop-1-enyl)-2-methoxyaniline
CID 169461847
4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene
CID 169461630
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile
CID 169462173
4-but-1-enyl-1,2-dimethylbenzene
CID 54516988
4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline
CID 169462312
2-[5-(3-azidoprop-1-enyl)-2-methoxyphenyl]acetic acid
CID 169462549
4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene
CID 169461583
5-(3-azidoprop-1-enyl)isoindole-1,3-dione
CID 169462453
1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene
CID 169461946
2-(3-azidoprop-1-enyl)-1,3-difluoro-4-methylbenzene
CID 169462859

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene (CID 150434648) is 4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene is Cc1ccc(C=CCN=[N+]=[N-])cc1C.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene?
The InChIKey is HKMSMSVHTLHELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-5-6-11(8-10(9)2)4-3-7-13-14-12/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene?
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene has a molecular weight of 187.25 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene is sourced from PubChem (CID 150434648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).