N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine

C18H17NO — CID 174852254

IUPACN-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine
SMILESON=C1CCC2C=Cc3c(ccc4ccccc34)C2C1
InChIInChI=1S/C18H17NO/c20-19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14/h1-4,6-7,9-10,13,18,20H,5,8,11H2
InChIKeyDBLXUQODLQFMJY-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.58
Rot. Bonds

About N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine

N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine (PubChem CID 174852254) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine
PubChem CID174852254
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine
SMILESON=C1CCC2C=Cc3c(ccc4ccccc34)C2C1
InChIInChI=1S/C18H17NO/c20-19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14/h1-4,6-7,9-10,13,18,20H,5,8,11H2
InChIKeyDBLXUQODLQFMJY-UHFFFAOYSA-N
XLogP4.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

bis[(3R)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
CID 101485885
bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
CID 101485886
1,1-dimethyl-3,4,4a,12a-tetrahydro-2H-chrysene
CID 174859891
2,2-dimethyl-3,4,4a,12a-tetrahydro-1H-chrysene;1,3-dioxolane
CID 174395406
N-[(3R,4R)-3,4-diphenylcyclohexylidene]hydroxylamine
CID 152768456
3,4,4a,12a-tetrahydro-2H-chrysen-1-one;1H-pyrrole;sulfane
CID 175318489
(3R)-3-[2-[(3R)-3H-cyclopenta[a]naphthalen-3-yl]propan-2-yl]-3H-cyclopenta[a]naphthalene
CID 101485883
11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene
CID 123273491
2-(4-chlorophenyl)-4-iodo-2-methyl-3,4,4a,12a-tetrahydro-1H-chrysene
CID 175304912
14H-cyclopenta[a]phenanthrene
CID 18702387
(6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one
CID 11160715
CID 69091197
CID 69091197

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine?
The IUPAC name of N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine (CID 174852254) is N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine?
The canonical SMILES for N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine is ON=C1CCC2C=Cc3c(ccc4ccccc34)C2C1.
What is the InChIKey of N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine?
The InChIKey is DBLXUQODLQFMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14/h1-4,6-7,9-10,13,18,20H,5,8,11H2.
What are the key properties of N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine?
N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine has a molecular weight of 263.34 g/mol, XLogP of 4.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine is sourced from PubChem (CID 174852254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).