1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine

C10H16N2O — CID 142040619

IUPAC1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine
SMILESCOC1=CC=C(N2CCNC2)CC1
InChIInChI=1S/C10H16N2O/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12/h2,4,11H,3,5-8H2,1H3
InChIKeyKRNLBVAVTPLJNG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.06
Rot. Bonds2

About 1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine

1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine (PubChem CID 142040619) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine.

Molecular Properties

Compound Name1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine
PubChem CID142040619
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine
SMILESCOC1=CC=C(N2CCNC2)CC1
InChIInChI=1S/C10H16N2O/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12/h2,4,11H,3,5-8H2,1H3
InChIKeyKRNLBVAVTPLJNG-UHFFFAOYSA-N
XLogP1.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine
CID 142040618
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
CID 142040765
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide
CID 142040884
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide
CID 142040916
1-[(3E,5E)-6-methoxyocta-1,3,5-trien-3-yl]imidazolidine
CID 142202932
4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine
CID 142207410
ethane;1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
CID 145496910
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 162686620
N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 142040917
1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
CID 145496911

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine?
The IUPAC name of 1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine (CID 142040619) is 1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine.
What is the SMILES notation for 1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine?
The canonical SMILES for 1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine is COC1=CC=C(N2CCNC2)CC1.
What is the InChIKey of 1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine?
The InChIKey is KRNLBVAVTPLJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12/h2,4,11H,3,5-8H2,1H3.
What are the key properties of 1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine?
1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine has a molecular weight of 180.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine is sourced from PubChem (CID 142040619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).