acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine

C14H20N4O4 — CID 70620131

IUPACacetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine
SMILESCC(=O)O.COc1ccc(OC)c2c1CCC2=NN=C(N)N
InChIInChI=1S/C12H16N4O2.C2H4O2/c1-17-9-5-6-10(18-2)11-7(9)3-4-8(11)15-16-12(13)14;1-2(3)4/h5-6H,3-4H2,1-2H3,(H4,13,14,16);1H3,(H,3,4)
InChIKeyJACSYOFHZPZKHD-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.72
Rot. Bonds3

About acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine

acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine (PubChem CID 70620131) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine.

Molecular Properties

Compound Nameacetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine
PubChem CID70620131
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Nameacetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine
SMILESCC(=O)O.COc1ccc(OC)c2c1CCC2=NN=C(N)N
InChIInChI=1S/C12H16N4O2.C2H4O2/c1-17-9-5-6-10(18-2)11-7(9)3-4-8(11)15-16-12(13)14;1-2(3)4/h5-6H,3-4H2,1-2H3,(H4,13,14,16);1H3,(H,3,4)
InChIKeyJACSYOFHZPZKHD-UHFFFAOYSA-N
XLogP0.72
TPSA132.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 10587626
2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10427786
4-methoxy-7-methyl-2,3-dihydroinden-1-one
CID 600490
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone
CID 86124271
6,9-dimethoxy-4,5-dihydro-2-benzoxepine-1,3-dione
CID 82159209
3,4-dimethoxybenzoic acid;methanol
CID 144580050
7-iodo-4-methoxy-2,3-dihydroinden-1-one
CID 12969786
7-fluoro-4-methoxy-2,3-dihydroinden-1-one
CID 53486405
2-[[3-(difluoromethoxy)-4-methoxybenzoyl]-methylamino]acetic acid
CID 119171808
[amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium
CID 163505980
2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine
CID 9058052
1-[(2S)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl]ethanone
CID 96588279

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine?
The IUPAC name of acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine (CID 70620131) is acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine.
What is the SMILES notation for acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine?
The canonical SMILES for acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine is CC(=O)O.COc1ccc(OC)c2c1CCC2=NN=C(N)N.
What is the InChIKey of acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine?
The InChIKey is JACSYOFHZPZKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2.C2H4O2/c1-17-9-5-6-10(18-2)11-7(9)3-4-8(11)15-16-12(13)14;1-2(3)4/h5-6H,3-4H2,1-2H3,(H4,13,14,16);1H3,(H,3,4).
What are the key properties of acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine?
acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine has a molecular weight of 308.34 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine is sourced from PubChem (CID 70620131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).