N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine

C12H12N2O — CID 603347

IUPACN-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine
SMILESCn1c2c(c3ccccc31)C(=NO)CC2
InChIInChI=1S/C12H12N2O/c1-14-10-5-3-2-4-8(10)12-9(13-15)6-7-11(12)14/h2-5,15H,6-7H2,1H3
InChIKeyBCSWFTJJDOFVGP-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.30
Rot. Bonds

About N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine

N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine (PubChem CID 603347) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine
PubChem CID603347
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine
SMILESCn1c2c(c3ccccc31)C(=NO)CC2
InChIInChI=1S/C12H12N2O/c1-14-10-5-3-2-4-8(10)12-9(13-15)6-7-11(12)14/h2-5,15H,6-7H2,1H3
InChIKeyBCSWFTJJDOFVGP-UHFFFAOYSA-N
XLogP2.30
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine?
The IUPAC name of N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine (CID 603347) is N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine?
The canonical SMILES for N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine is Cn1c2c(c3ccccc31)C(=NO)CC2.
What is the InChIKey of N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine?
The InChIKey is BCSWFTJJDOFVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-14-10-5-3-2-4-8(10)12-9(13-15)6-7-11(12)14/h2-5,15H,6-7H2,1H3.
What are the key properties of N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine?
N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine has a molecular weight of 200.24 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine is sourced from PubChem (CID 603347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).