aniline;cyclopropa[a]indene

C16H13N — CID 175287346

IUPACaniline;cyclopropa[a]indene
SMILESNc1ccccc1.c1ccc2c3cc-3cc2c1
InChIInChI=1S/C10H6.C6H7N/c1-2-4-9-7(3-1)5-8-6-10(8)9;7-6-4-2-1-3-5-6/h1-6H;1-5H,7H2
InChIKeyIBMKFXHQKDOGOH-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.09
Rot. Bonds

About aniline;cyclopropa[a]indene

aniline;cyclopropa[a]indene (PubChem CID 175287346) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is aniline;cyclopropa[a]indene.

Molecular Properties

Compound Nameaniline;cyclopropa[a]indene
PubChem CID175287346
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Nameaniline;cyclopropa[a]indene
SMILESNc1ccccc1.c1ccc2c3cc-3cc2c1
InChIInChI=1S/C10H6.C6H7N/c1-2-4-9-7(3-1)5-8-6-10(8)9;7-6-4-2-1-3-5-6/h1-6H;1-5H,7H2
InChIKeyIBMKFXHQKDOGOH-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
3-(3-fluorophenyl)-1-phenylnaphthalene
CID 176904278
5-phenylnaphthalen-2-amine
CID 66729016
3-(4-phenoxyphenyl)-1-phenylnaphthalene
CID 176904276
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
CID 140754630
3-(4-naphthalen-1-ylphenyl)aniline
CID 154675291
4-phenanthren-9-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167410426
1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
CID 169303011
2-(4-naphthalen-1-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730897
2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730911
5-phenylnaphthalene-2,3-diamine
CID 70378591
9-(4-chloronaphthalen-2-yl)phenanthrene
CID 169007345

Frequently Asked Questions

What is the IUPAC name of aniline;cyclopropa[a]indene?
The IUPAC name of aniline;cyclopropa[a]indene (CID 175287346) is aniline;cyclopropa[a]indene.
What is the SMILES notation for aniline;cyclopropa[a]indene?
The canonical SMILES for aniline;cyclopropa[a]indene is Nc1ccccc1.c1ccc2c3cc-3cc2c1.
What is the InChIKey of aniline;cyclopropa[a]indene?
The InChIKey is IBMKFXHQKDOGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6.C6H7N/c1-2-4-9-7(3-1)5-8-6-10(8)9;7-6-4-2-1-3-5-6/h1-6H;1-5H,7H2.
What are the key properties of aniline;cyclopropa[a]indene?
aniline;cyclopropa[a]indene has a molecular weight of 219.29 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;cyclopropa[a]indene is sourced from PubChem (CID 175287346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).