2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile

C15H22N2O — CID 534704

IUPAC2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile
SMILESN#Cc1c(N)oc2c1CCCCCCCCCC2
InChIInChI=1S/C15H22N2O/c16-11-13-12-9-7-5-3-1-2-4-6-8-10-14(12)18-15(13)17/h1-10,17H2
InChIKeyBWJWMXXUKFKKMQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.95
Rot. Bonds

About 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile

2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile (PubChem CID 534704) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile
PubChem CID534704
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile
SMILESN#Cc1c(N)oc2c1CCCCCCCCCC2
InChIInChI=1S/C15H22N2O/c16-11-13-12-9-7-5-3-1-2-4-6-8-10-14(12)18-15(13)17/h1-10,17H2
InChIKeyBWJWMXXUKFKKMQ-UHFFFAOYSA-N
XLogP3.95
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,5-diphenyl-3-furonitrile
CID 389699
2-Amino-4,5-dimethyl-3-furancarbonitrile
CID 290220
2-Amino-5-phenylfuran-3-carbonitrile
CID 693961
2-[3-(5-Amino-4-cyano-2-furyl)-2-butenylidene]malononitrile
CID 5452265
2-Amino-4-phenylfuran-3-carbonitrile
CID 11789888
2-Amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 2205994
2-Amino-5-phenyl-3,4-furandicarbonitrile
CID 13025873
ST050948
CID 673083
2-Amino-5-(4-fluorophenyl)furan-3-carbonitrile
CID 4357504
2-Amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile
CID 11277107
2-Amino-4-(4'-fluorophenyl)-3-furonitrile
CID 69222371
5-Amino-2,4-diphenylfuran-3-carbonitrile
CID 12764530

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile?
The IUPAC name of 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile (CID 534704) is 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile?
The canonical SMILES for 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile is N#Cc1c(N)oc2c1CCCCCCCCCC2.
What is the InChIKey of 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile?
The InChIKey is BWJWMXXUKFKKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-11-13-12-9-7-5-3-1-2-4-6-8-10-14(12)18-15(13)17/h1-10,17H2.
What are the key properties of 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile?
2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile has a molecular weight of 246.35 g/mol, XLogP of 3.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]furan-3-carbonitrile is sourced from PubChem (CID 534704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).